USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 877 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 67 HIS : no HE2:sc= -0.0239 K(o=-0.98,f=-15!) USER MOD Set 1.2: A 80 MET CE :methyl -163:sc= -0.951 (180deg=0) USER MOD Set 2.1: A 63 ASN : amide:sc= 0.481 K(o=-3.4,f=-4.4) USER MOD Set 2.2: A 74 TYR OH : rot 143:sc= -3.86! USER MOD Set 3.1: A 40 SER OG : rot 131:sc= -1.47! USER MOD Set 3.2: A 52 ASN : amide:sc= -0.653 K(o=-4.3,f=-11!) USER MOD Set 3.3: A 56 ASN :FLIP amide:sc= -2.19! C(o=-8.3!,f=-4.3!) USER MOD Set 4.1: A 19 THR OG1 : rot 111:sc= -2.91! USER MOD Set 4.2: A 26 HIS : no HD1:sc= -0.786 K(o=-14,f=-18!) USER MOD Set 4.3: A 31 ASN : amide:sc= -10.6! C(o=-14!,f=-17!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -66:sc= 1.22 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ 158:sc= 0.0854 (180deg=0.00384) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.0919 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -24:sc= 0.894 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.194 (180deg=-0.893) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-7.7!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.28) USER MOD Single : A 42 GLN : amide:sc= -1.86! C(o=-1.9!,f=-8.6!) USER MOD Single : A 46 TYR OH : rot 67:sc= 0.902 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -4.34! USER MOD Single : A 49 THR OG1 : rot -140:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc=-0.00738 (180deg=-0.271) USER MOD Single : A 62 ASN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 64 MET CE :methyl -171:sc= -2.12 (180deg=-2.22) USER MOD Single : A 65 SER OG : rot -90:sc= 0.982 USER MOD Single : A 69 THR OG1 : rot 77:sc= -3.94! USER MOD Single : A 70 ASN :FLIP amide:sc= -0.0373 F(o=-1.7!,f=-0.037) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -98:sc= 0.0663 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 147:sc=-0.00189 (180deg=-0.243) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.0155 (180deg=-0.304) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= -0.216 (180deg=-1.14) USER MOD Single : A 92 ASN :FLIP amide:sc= 0.503 F(o=-1,f=0.5) USER MOD Single : A 96 THR OG1 : rot -48:sc= 0.759 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc=-0.00936 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -19.183 -4.204 2.994 1.00 0.00 N ATOM 2 CA THR A -5 -19.473 -5.663 3.090 1.00 0.00 C ATOM 3 C THR A -5 -18.295 -6.455 2.517 1.00 0.00 C ATOM 4 O THR A -5 -17.729 -7.306 3.175 1.00 0.00 O ATOM 5 CB THR A -5 -20.740 -5.985 2.293 1.00 0.00 C ATOM 6 OG1 THR A -5 -21.732 -5.005 2.568 1.00 0.00 O ATOM 7 CG2 THR A -5 -21.259 -7.366 2.693 1.00 0.00 C ATOM 0 H1 THR A -5 -20.075 -3.670 3.021 1.00 0.00 H new ATOM 0 H2 THR A -5 -18.583 -3.916 3.793 1.00 0.00 H new ATOM 0 H3 THR A -5 -18.688 -4.006 2.101 1.00 0.00 H new ATOM 0 HA THR A -5 -19.622 -5.936 4.135 1.00 0.00 H new ATOM 0 HB THR A -5 -20.511 -5.981 1.227 1.00 0.00 H new ATOM 0 HG1 THR A -5 -22.543 -5.208 2.057 1.00 0.00 H new ATOM 0 HG21 THR A -5 -22.161 -7.594 2.125 1.00 0.00 H new ATOM 0 HG22 THR A -5 -20.497 -8.116 2.481 1.00 0.00 H new ATOM 0 HG23 THR A -5 -21.489 -7.374 3.758 1.00 0.00 H new ATOM 17 N GLU A -4 -17.922 -6.183 1.296 1.00 0.00 N ATOM 18 CA GLU A -4 -16.782 -6.921 0.685 1.00 0.00 C ATOM 19 C GLU A -4 -15.511 -6.655 1.493 1.00 0.00 C ATOM 20 O GLU A -4 -14.651 -7.504 1.612 1.00 0.00 O ATOM 21 CB GLU A -4 -16.580 -6.442 -0.756 1.00 0.00 C ATOM 22 CG GLU A -4 -17.803 -6.816 -1.598 1.00 0.00 C ATOM 23 CD GLU A -4 -17.946 -8.339 -1.648 1.00 0.00 C ATOM 24 OE1 GLU A -4 -16.972 -9.015 -1.360 1.00 0.00 O ATOM 25 OE2 GLU A -4 -19.026 -8.801 -1.974 1.00 0.00 O ATOM 0 H GLU A -4 -18.357 -5.482 0.696 1.00 0.00 H new ATOM 0 HA GLU A -4 -16.997 -7.990 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.430 -5.362 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -15.683 -6.895 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -18.701 -6.370 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -17.698 -6.417 -2.607 1.00 0.00 H new ATOM 32 N PHE A -3 -15.386 -5.482 2.051 1.00 0.00 N ATOM 33 CA PHE A -3 -14.172 -5.162 2.852 1.00 0.00 C ATOM 34 C PHE A -3 -14.491 -5.297 4.343 1.00 0.00 C ATOM 35 O PHE A -3 -15.447 -4.733 4.836 1.00 0.00 O ATOM 36 CB PHE A -3 -13.727 -3.729 2.552 1.00 0.00 C ATOM 37 CG PHE A -3 -12.465 -3.419 3.319 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.222 -3.825 2.820 1.00 0.00 C ATOM 39 CD2 PHE A -3 -12.538 -2.720 4.531 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.052 -3.533 3.533 1.00 0.00 C ATOM 41 CE2 PHE A -3 -11.369 -2.428 5.244 1.00 0.00 C ATOM 42 CZ PHE A -3 -10.126 -2.834 4.745 1.00 0.00 C ATOM 0 H PHE A -3 -16.073 -4.731 1.986 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.372 -5.854 2.590 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.554 -3.608 1.483 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -14.514 -3.028 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.165 -4.363 1.885 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -13.497 -2.406 4.916 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.093 -3.847 3.148 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -11.426 -1.890 6.179 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.224 -2.608 5.294 1.00 0.00 H new ATOM 52 N LYS A -2 -13.696 -6.039 5.064 1.00 0.00 N ATOM 53 CA LYS A -2 -13.952 -6.209 6.522 1.00 0.00 C ATOM 54 C LYS A -2 -13.207 -5.122 7.299 1.00 0.00 C ATOM 55 O LYS A -2 -12.042 -4.865 7.063 1.00 0.00 O ATOM 56 CB LYS A -2 -13.457 -7.585 6.970 1.00 0.00 C ATOM 57 CG LYS A -2 -13.898 -7.841 8.412 1.00 0.00 C ATOM 58 CD LYS A -2 -13.476 -9.249 8.836 1.00 0.00 C ATOM 59 CE LYS A -2 -11.950 -9.324 8.919 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.556 -10.450 9.812 1.00 0.00 N ATOM 0 H LYS A -2 -12.880 -6.535 4.706 1.00 0.00 H new ATOM 0 HA LYS A -2 -15.022 -6.127 6.715 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -13.856 -8.358 6.314 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -12.371 -7.634 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.451 -7.101 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -14.979 -7.734 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.915 -9.496 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -13.848 -9.982 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.528 -9.469 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -11.549 -8.385 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -10.519 -10.501 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -11.947 -10.293 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -11.926 -11.343 9.429 1.00 0.00 H new ATOM 74 N ALA A -1 -13.865 -4.482 8.224 1.00 0.00 N ATOM 75 CA ALA A -1 -13.190 -3.415 9.013 1.00 0.00 C ATOM 76 C ALA A -1 -11.951 -3.996 9.697 1.00 0.00 C ATOM 77 O ALA A -1 -12.019 -5.002 10.374 1.00 0.00 O ATOM 78 CB ALA A -1 -14.151 -2.876 10.073 1.00 0.00 C ATOM 0 H ALA A -1 -14.841 -4.652 8.468 1.00 0.00 H new ATOM 0 HA ALA A -1 -12.893 -2.604 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -13.656 -2.095 10.650 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -15.035 -2.463 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -14.449 -3.686 10.739 1.00 0.00 H new ATOM 84 N GLY A 1 -10.818 -3.373 9.522 1.00 0.00 N ATOM 85 CA GLY A 1 -9.574 -3.890 10.158 1.00 0.00 C ATOM 86 C GLY A 1 -9.872 -4.330 11.590 1.00 0.00 C ATOM 87 O GLY A 1 -10.580 -3.665 12.320 1.00 0.00 O ATOM 0 H GLY A 1 -10.700 -2.527 8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.182 -4.729 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.805 -3.117 10.157 1.00 0.00 H new ATOM 91 N SER A 2 -9.338 -5.448 12.000 1.00 0.00 N ATOM 92 CA SER A 2 -9.592 -5.926 13.388 1.00 0.00 C ATOM 93 C SER A 2 -9.125 -4.864 14.385 1.00 0.00 C ATOM 94 O SER A 2 -9.738 -4.653 15.412 1.00 0.00 O ATOM 95 CB SER A 2 -8.822 -7.226 13.628 1.00 0.00 C ATOM 96 OG SER A 2 -9.173 -8.172 12.627 1.00 0.00 O ATOM 0 H SER A 2 -8.738 -6.050 11.435 1.00 0.00 H new ATOM 0 HA SER A 2 -10.659 -6.106 13.522 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.749 -7.036 13.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.054 -7.622 14.616 1.00 0.00 H new ATOM 0 HG SER A 2 -8.680 -9.005 12.777 1.00 0.00 H new ATOM 102 N ALA A 3 -8.044 -4.192 14.089 1.00 0.00 N ATOM 103 CA ALA A 3 -7.543 -3.143 15.022 1.00 0.00 C ATOM 104 C ALA A 3 -6.314 -2.460 14.421 1.00 0.00 C ATOM 105 O ALA A 3 -6.200 -2.302 13.223 1.00 0.00 O ATOM 106 CB ALA A 3 -7.165 -3.783 16.360 1.00 0.00 C ATOM 0 H ALA A 3 -7.488 -4.324 13.244 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.327 -2.402 15.181 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.799 -3.014 17.041 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.042 -4.264 16.794 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.385 -4.527 16.200 1.00 0.00 H new ATOM 112 N LYS A 4 -5.393 -2.049 15.251 1.00 0.00 N ATOM 113 CA LYS A 4 -4.171 -1.370 14.737 1.00 0.00 C ATOM 114 C LYS A 4 -3.101 -2.410 14.398 1.00 0.00 C ATOM 115 O LYS A 4 -1.976 -2.074 14.090 1.00 0.00 O ATOM 116 CB LYS A 4 -3.632 -0.417 15.806 1.00 0.00 C ATOM 117 CG LYS A 4 -4.662 0.680 16.078 1.00 0.00 C ATOM 118 CD LYS A 4 -4.076 1.699 17.058 1.00 0.00 C ATOM 119 CE LYS A 4 -5.145 2.730 17.425 1.00 0.00 C ATOM 120 NZ LYS A 4 -4.498 3.912 18.062 1.00 0.00 N ATOM 0 H LYS A 4 -5.435 -2.155 16.265 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.424 -0.809 13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.419 -0.966 16.723 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.693 0.026 15.474 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.938 1.173 15.146 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -5.572 0.245 16.490 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.721 1.193 17.956 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.215 2.196 16.611 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.690 3.037 16.533 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.872 2.289 18.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.225 4.613 18.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.997 3.612 18.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.821 4.337 17.397 1.00 0.00 H new ATOM 134 N LYS A 5 -3.438 -3.671 14.451 1.00 0.00 N ATOM 135 CA LYS A 5 -2.423 -4.715 14.130 1.00 0.00 C ATOM 136 C LYS A 5 -1.838 -4.431 12.746 1.00 0.00 C ATOM 137 O LYS A 5 -0.643 -4.496 12.541 1.00 0.00 O ATOM 138 CB LYS A 5 -3.089 -6.094 14.133 1.00 0.00 C ATOM 139 CG LYS A 5 -3.592 -6.414 15.541 1.00 0.00 C ATOM 140 CD LYS A 5 -4.155 -7.837 15.570 1.00 0.00 C ATOM 141 CE LYS A 5 -4.770 -8.114 16.943 1.00 0.00 C ATOM 142 NZ LYS A 5 -4.824 -9.587 17.174 1.00 0.00 N ATOM 0 H LYS A 5 -4.363 -4.021 14.700 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.628 -4.699 14.876 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.919 -6.110 13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.378 -6.854 13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.778 -6.319 16.260 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.362 -5.701 15.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.908 -7.958 14.791 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.364 -8.557 15.362 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.178 -7.634 17.722 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.772 -7.689 16.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.242 -9.777 18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.406 -10.033 16.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.861 -9.979 17.139 1.00 0.00 H new ATOM 156 N GLY A 6 -2.672 -4.101 11.797 1.00 0.00 N ATOM 157 CA GLY A 6 -2.160 -3.795 10.432 1.00 0.00 C ATOM 158 C GLY A 6 -1.237 -2.579 10.506 1.00 0.00 C ATOM 159 O GLY A 6 -0.322 -2.433 9.721 1.00 0.00 O ATOM 0 H GLY A 6 -3.683 -4.030 11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.620 -4.653 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.990 -3.596 9.755 1.00 0.00 H new ATOM 163 N ALA A 7 -1.475 -1.700 11.444 1.00 0.00 N ATOM 164 CA ALA A 7 -0.616 -0.489 11.567 1.00 0.00 C ATOM 165 C ALA A 7 0.833 -0.913 11.790 1.00 0.00 C ATOM 166 O ALA A 7 1.747 -0.367 11.203 1.00 0.00 O ATOM 167 CB ALA A 7 -1.088 0.352 12.754 1.00 0.00 C ATOM 0 H ALA A 7 -2.227 -1.770 12.129 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.686 0.100 10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.460 1.238 12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.123 0.655 12.596 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.018 -0.237 13.668 1.00 0.00 H new ATOM 173 N THR A 8 1.056 -1.890 12.624 1.00 0.00 N ATOM 174 CA THR A 8 2.448 -2.349 12.866 1.00 0.00 C ATOM 175 C THR A 8 2.977 -2.996 11.588 1.00 0.00 C ATOM 176 O THR A 8 4.128 -2.845 11.232 1.00 0.00 O ATOM 177 CB THR A 8 2.454 -3.370 14.004 1.00 0.00 C ATOM 178 OG1 THR A 8 1.752 -4.534 13.597 1.00 0.00 O ATOM 179 CG2 THR A 8 1.776 -2.766 15.236 1.00 0.00 C ATOM 0 H THR A 8 0.335 -2.388 13.146 1.00 0.00 H new ATOM 0 HA THR A 8 3.081 -1.505 13.142 1.00 0.00 H new ATOM 0 HB THR A 8 3.482 -3.634 14.251 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.804 -4.319 13.476 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.780 -3.494 16.047 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.317 -1.872 15.547 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.747 -2.501 14.992 1.00 0.00 H new ATOM 187 N LEU A 9 2.135 -3.698 10.878 1.00 0.00 N ATOM 188 CA LEU A 9 2.584 -4.330 9.609 1.00 0.00 C ATOM 189 C LEU A 9 3.084 -3.209 8.701 1.00 0.00 C ATOM 190 O LEU A 9 4.086 -3.329 8.025 1.00 0.00 O ATOM 191 CB LEU A 9 1.393 -5.045 8.957 1.00 0.00 C ATOM 192 CG LEU A 9 1.881 -6.172 8.037 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.916 -5.635 7.050 1.00 0.00 C ATOM 194 CD2 LEU A 9 2.512 -7.280 8.879 1.00 0.00 C ATOM 0 H LEU A 9 1.158 -3.860 11.123 1.00 0.00 H new ATOM 0 HA LEU A 9 3.374 -5.060 9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.740 -5.454 9.728 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.801 -4.331 8.385 1.00 0.00 H new ATOM 0 HG LEU A 9 1.031 -6.569 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.255 -6.444 6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.467 -4.849 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.766 -5.229 7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.859 -8.081 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.356 -6.876 9.438 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.772 -7.674 9.575 1.00 0.00 H new ATOM 206 N PHE A 10 2.389 -2.106 8.709 1.00 0.00 N ATOM 207 CA PHE A 10 2.804 -0.942 7.882 1.00 0.00 C ATOM 208 C PHE A 10 4.134 -0.409 8.417 1.00 0.00 C ATOM 209 O PHE A 10 5.074 -0.177 7.679 1.00 0.00 O ATOM 210 CB PHE A 10 1.733 0.149 8.003 1.00 0.00 C ATOM 211 CG PHE A 10 2.037 1.280 7.055 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.666 1.185 5.709 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.685 2.427 7.523 1.00 0.00 C ATOM 214 CE1 PHE A 10 1.946 2.239 4.831 1.00 0.00 C ATOM 215 CE2 PHE A 10 2.964 3.479 6.645 1.00 0.00 C ATOM 216 CZ PHE A 10 2.596 3.385 5.300 1.00 0.00 C ATOM 0 H PHE A 10 1.543 -1.961 9.259 1.00 0.00 H new ATOM 0 HA PHE A 10 2.918 -1.236 6.839 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.751 -0.268 7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.697 0.522 9.027 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.164 0.299 5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.970 2.501 8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.660 2.167 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.464 4.365 7.007 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.814 4.198 4.623 1.00 0.00 H new ATOM 226 N LYS A 11 4.210 -0.216 9.704 1.00 0.00 N ATOM 227 CA LYS A 11 5.460 0.303 10.328 1.00 0.00 C ATOM 228 C LYS A 11 6.606 -0.688 10.114 1.00 0.00 C ATOM 229 O LYS A 11 7.740 -0.307 9.900 1.00 0.00 O ATOM 230 CB LYS A 11 5.228 0.475 11.832 1.00 0.00 C ATOM 231 CG LYS A 11 6.397 1.250 12.444 1.00 0.00 C ATOM 232 CD LYS A 11 6.197 1.365 13.957 1.00 0.00 C ATOM 233 CE LYS A 11 7.280 2.270 14.547 1.00 0.00 C ATOM 234 NZ LYS A 11 7.712 1.732 15.867 1.00 0.00 N ATOM 0 H LYS A 11 3.449 -0.398 10.359 1.00 0.00 H new ATOM 0 HA LYS A 11 5.721 1.257 9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.293 1.007 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.134 -0.500 12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.337 0.742 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.462 2.243 11.999 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.210 1.772 14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.243 0.378 14.417 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.131 2.326 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.898 3.284 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.448 2.347 16.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.897 1.701 16.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.093 0.772 15.743 1.00 0.00 H new ATOM 248 N THR A 12 6.320 -1.957 10.203 1.00 0.00 N ATOM 249 CA THR A 12 7.392 -2.981 10.041 1.00 0.00 C ATOM 250 C THR A 12 7.914 -3.015 8.600 1.00 0.00 C ATOM 251 O THR A 12 9.071 -3.298 8.367 1.00 0.00 O ATOM 252 CB THR A 12 6.830 -4.358 10.404 1.00 0.00 C ATOM 253 OG1 THR A 12 5.810 -4.710 9.481 1.00 0.00 O ATOM 254 CG2 THR A 12 6.251 -4.317 11.820 1.00 0.00 C ATOM 0 H THR A 12 5.388 -2.331 10.381 1.00 0.00 H new ATOM 0 HA THR A 12 8.220 -2.720 10.701 1.00 0.00 H new ATOM 0 HB THR A 12 7.628 -5.100 10.362 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.434 -3.897 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.851 -5.298 12.078 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.036 -4.048 12.527 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.453 -3.576 11.865 1.00 0.00 H new ATOM 262 N ARG A 13 7.084 -2.751 7.627 1.00 0.00 N ATOM 263 CA ARG A 13 7.578 -2.804 6.221 1.00 0.00 C ATOM 264 C ARG A 13 6.790 -1.845 5.326 1.00 0.00 C ATOM 265 O ARG A 13 6.191 -2.254 4.352 1.00 0.00 O ATOM 266 CB ARG A 13 7.422 -4.229 5.682 1.00 0.00 C ATOM 267 CG ARG A 13 8.363 -5.176 6.436 1.00 0.00 C ATOM 268 CD ARG A 13 8.333 -6.556 5.773 1.00 0.00 C ATOM 269 NE ARG A 13 9.093 -7.523 6.613 1.00 0.00 N ATOM 270 CZ ARG A 13 8.613 -7.904 7.766 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.470 -7.436 8.184 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.279 -8.753 8.500 1.00 0.00 N ATOM 0 H ARG A 13 6.101 -2.505 7.741 1.00 0.00 H new ATOM 0 HA ARG A 13 8.627 -2.507 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.390 -4.560 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.647 -4.251 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.378 -4.779 6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.058 -5.255 7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.303 -6.892 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.769 -6.502 4.775 1.00 0.00 H new ATOM 0 HE ARG A 13 9.988 -7.888 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.950 -6.772 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.096 -7.734 9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.173 -9.118 8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.905 -9.051 9.401 1.00 0.00 H new ATOM 286 N CYS A 14 6.791 -0.574 5.624 1.00 0.00 N ATOM 287 CA CYS A 14 6.045 0.379 4.751 1.00 0.00 C ATOM 288 C CYS A 14 6.316 1.824 5.176 1.00 0.00 C ATOM 289 O CYS A 14 6.727 2.644 4.380 1.00 0.00 O ATOM 290 CB CYS A 14 4.547 0.090 4.841 1.00 0.00 C ATOM 291 SG CYS A 14 3.746 0.627 3.306 1.00 0.00 S ATOM 0 H CYS A 14 7.269 -0.158 6.423 1.00 0.00 H new ATOM 0 HA CYS A 14 6.383 0.249 3.723 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.378 -0.975 5.000 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.114 0.612 5.694 1.00 0.00 H new ATOM 296 N LEU A 15 6.084 2.149 6.416 1.00 0.00 N ATOM 297 CA LEU A 15 6.322 3.549 6.874 1.00 0.00 C ATOM 298 C LEU A 15 7.751 3.966 6.526 1.00 0.00 C ATOM 299 O LEU A 15 8.004 5.091 6.140 1.00 0.00 O ATOM 300 CB LEU A 15 6.117 3.630 8.391 1.00 0.00 C ATOM 301 CG LEU A 15 6.282 5.077 8.877 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.008 5.876 8.587 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.538 5.073 10.384 1.00 0.00 C ATOM 0 H LEU A 15 5.741 1.509 7.132 1.00 0.00 H new ATOM 0 HA LEU A 15 5.621 4.219 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.124 3.264 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.836 2.986 8.896 1.00 0.00 H new ATOM 0 HG LEU A 15 7.121 5.537 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.134 6.901 8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.816 5.878 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.165 5.418 9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.656 6.098 10.736 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.694 4.609 10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.446 4.509 10.597 1.00 0.00 H new ATOM 315 N GLN A 16 8.691 3.074 6.660 1.00 0.00 N ATOM 316 CA GLN A 16 10.098 3.428 6.338 1.00 0.00 C ATOM 317 C GLN A 16 10.186 3.948 4.901 1.00 0.00 C ATOM 318 O GLN A 16 10.964 4.830 4.597 1.00 0.00 O ATOM 319 CB GLN A 16 10.975 2.182 6.484 1.00 0.00 C ATOM 320 CG GLN A 16 12.448 2.582 6.414 1.00 0.00 C ATOM 321 CD GLN A 16 13.316 1.324 6.472 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.576 0.703 5.460 1.00 0.00 O ATOM 323 NE2 GLN A 16 13.768 0.914 7.624 1.00 0.00 N ATOM 0 H GLN A 16 8.545 2.116 6.978 1.00 0.00 H new ATOM 0 HA GLN A 16 10.443 4.204 7.021 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.767 1.687 7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 16 10.744 1.467 5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.644 3.131 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.696 3.247 7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.549 1.436 8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.340 0.071 7.677 1.00 0.00 H new ATOM 332 N CYS A 17 9.406 3.399 4.009 1.00 0.00 N ATOM 333 CA CYS A 17 9.464 3.854 2.590 1.00 0.00 C ATOM 334 C CYS A 17 8.363 4.881 2.297 1.00 0.00 C ATOM 335 O CYS A 17 8.591 5.866 1.625 1.00 0.00 O ATOM 336 CB CYS A 17 9.268 2.654 1.667 1.00 0.00 C ATOM 337 SG CYS A 17 10.673 1.525 1.825 1.00 0.00 S ATOM 0 H CYS A 17 8.733 2.657 4.201 1.00 0.00 H new ATOM 0 HA CYS A 17 10.436 4.317 2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.343 2.136 1.920 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.173 2.989 0.634 1.00 0.00 H new ATOM 342 N HIS A 18 7.169 4.648 2.772 1.00 0.00 N ATOM 343 CA HIS A 18 6.054 5.602 2.487 1.00 0.00 C ATOM 344 C HIS A 18 5.733 6.437 3.729 1.00 0.00 C ATOM 345 O HIS A 18 5.529 5.917 4.807 1.00 0.00 O ATOM 346 CB HIS A 18 4.813 4.810 2.071 1.00 0.00 C ATOM 347 CG HIS A 18 5.009 4.245 0.692 1.00 0.00 C ATOM 348 ND1 HIS A 18 4.896 5.019 -0.459 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.291 2.978 0.264 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.107 4.207 -1.516 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.350 2.959 -1.121 1.00 0.00 N ATOM 0 H HIS A 18 6.916 3.842 3.343 1.00 0.00 H new ATOM 0 HA HIS A 18 6.357 6.274 1.684 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.629 4.004 2.782 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.935 5.456 2.088 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.691 6.018 -0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.444 2.123 0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.082 4.527 -2.547 1.00 0.00 H new ATOM 359 N THR A 19 5.677 7.734 3.576 1.00 0.00 N ATOM 360 CA THR A 19 5.356 8.614 4.735 1.00 0.00 C ATOM 361 C THR A 19 3.840 8.816 4.819 1.00 0.00 C ATOM 362 O THR A 19 3.310 9.190 5.847 1.00 0.00 O ATOM 363 CB THR A 19 6.046 9.970 4.550 1.00 0.00 C ATOM 364 OG1 THR A 19 5.478 10.637 3.432 1.00 0.00 O ATOM 365 CG2 THR A 19 7.541 9.755 4.316 1.00 0.00 C ATOM 0 H THR A 19 5.840 8.222 2.695 1.00 0.00 H new ATOM 0 HA THR A 19 5.710 8.149 5.655 1.00 0.00 H new ATOM 0 HB THR A 19 5.906 10.577 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.966 11.414 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.031 10.720 4.184 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.974 9.242 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.686 9.150 3.421 1.00 0.00 H new ATOM 373 N VAL A 20 3.139 8.567 3.745 1.00 0.00 N ATOM 374 CA VAL A 20 1.655 8.740 3.756 1.00 0.00 C ATOM 375 C VAL A 20 1.295 10.196 4.062 1.00 0.00 C ATOM 376 O VAL A 20 0.192 10.493 4.477 1.00 0.00 O ATOM 377 CB VAL A 20 1.040 7.835 4.824 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.467 7.717 4.587 1.00 0.00 C ATOM 379 CG2 VAL A 20 1.676 6.447 4.742 1.00 0.00 C ATOM 0 H VAL A 20 3.530 8.250 2.858 1.00 0.00 H new ATOM 0 HA VAL A 20 1.263 8.472 2.775 1.00 0.00 H new ATOM 0 HB VAL A 20 1.221 8.262 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.906 7.072 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.923 8.706 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.648 7.289 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.238 5.801 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.494 6.021 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.750 6.528 4.909 1.00 0.00 H new ATOM 389 N GLU A 21 2.209 11.105 3.859 1.00 0.00 N ATOM 390 CA GLU A 21 1.906 12.539 4.137 1.00 0.00 C ATOM 391 C GLU A 21 1.686 13.276 2.814 1.00 0.00 C ATOM 392 O GLU A 21 2.400 13.068 1.852 1.00 0.00 O ATOM 393 CB GLU A 21 3.079 13.173 4.888 1.00 0.00 C ATOM 394 CG GLU A 21 2.713 14.602 5.296 1.00 0.00 C ATOM 395 CD GLU A 21 3.921 15.269 5.957 1.00 0.00 C ATOM 396 OE1 GLU A 21 4.955 14.627 6.042 1.00 0.00 O ATOM 397 OE2 GLU A 21 3.792 16.412 6.363 1.00 0.00 O ATOM 0 H GLU A 21 3.150 10.918 3.514 1.00 0.00 H new ATOM 0 HA GLU A 21 1.006 12.610 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.321 12.582 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.967 13.180 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.402 15.173 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.869 14.590 5.985 1.00 0.00 H new ATOM 404 N LYS A 22 0.703 14.133 2.754 1.00 0.00 N ATOM 405 CA LYS A 22 0.443 14.877 1.490 1.00 0.00 C ATOM 406 C LYS A 22 1.682 15.694 1.119 1.00 0.00 C ATOM 407 O LYS A 22 2.049 15.795 -0.035 1.00 0.00 O ATOM 408 CB LYS A 22 -0.753 15.813 1.685 1.00 0.00 C ATOM 409 CG LYS A 22 -0.384 16.929 2.666 1.00 0.00 C ATOM 410 CD LYS A 22 -1.624 17.768 2.976 1.00 0.00 C ATOM 411 CE LYS A 22 -1.207 19.052 3.695 1.00 0.00 C ATOM 412 NZ LYS A 22 -0.018 18.779 4.550 1.00 0.00 N ATOM 0 H LYS A 22 0.070 14.349 3.524 1.00 0.00 H new ATOM 0 HA LYS A 22 0.221 14.172 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.051 16.241 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.608 15.252 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.018 16.502 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.397 17.559 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.152 18.011 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.315 17.199 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.974 19.830 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.030 19.423 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.113 19.561 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.163 17.892 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.828 18.693 3.951 1.00 0.00 H new ATOM 426 N GLY A 23 2.332 16.271 2.093 1.00 0.00 N ATOM 427 CA GLY A 23 3.555 17.074 1.807 1.00 0.00 C ATOM 428 C GLY A 23 4.783 16.298 2.281 1.00 0.00 C ATOM 429 O GLY A 23 5.787 16.871 2.655 1.00 0.00 O ATOM 0 H GLY A 23 2.068 16.221 3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.629 17.280 0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.500 18.037 2.314 1.00 0.00 H new ATOM 433 N GLY A 24 4.705 14.996 2.280 1.00 0.00 N ATOM 434 CA GLY A 24 5.860 14.178 2.740 1.00 0.00 C ATOM 435 C GLY A 24 7.076 14.446 1.845 1.00 0.00 C ATOM 436 O GLY A 24 6.939 14.823 0.699 1.00 0.00 O ATOM 0 H GLY A 24 3.889 14.463 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.099 14.420 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.602 13.119 2.711 1.00 0.00 H new ATOM 440 N PRO A 25 8.257 14.247 2.371 1.00 0.00 N ATOM 441 CA PRO A 25 9.526 14.461 1.617 1.00 0.00 C ATOM 442 C PRO A 25 9.767 13.375 0.569 1.00 0.00 C ATOM 443 O PRO A 25 10.736 13.411 -0.161 1.00 0.00 O ATOM 444 CB PRO A 25 10.606 14.385 2.694 1.00 0.00 C ATOM 445 CG PRO A 25 10.022 13.529 3.765 1.00 0.00 C ATOM 446 CD PRO A 25 8.517 13.789 3.746 1.00 0.00 C ATOM 0 HA PRO A 25 9.511 15.403 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.526 13.953 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.856 15.376 3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.237 12.476 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.448 13.778 4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.952 12.887 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.232 14.543 4.480 1.00 0.00 H new ATOM 454 N HIS A 26 8.904 12.398 0.510 1.00 0.00 N ATOM 455 CA HIS A 26 9.091 11.293 -0.469 1.00 0.00 C ATOM 456 C HIS A 26 10.434 10.618 -0.201 1.00 0.00 C ATOM 457 O HIS A 26 11.347 10.689 -0.999 1.00 0.00 O ATOM 458 CB HIS A 26 9.061 11.837 -1.900 1.00 0.00 C ATOM 459 CG HIS A 26 7.763 12.556 -2.140 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.658 11.917 -2.682 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.376 13.856 -1.923 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.668 12.821 -2.772 1.00 0.00 C ATOM 463 NE2 HIS A 26 6.055 14.018 -2.322 1.00 0.00 N ATOM 0 H HIS A 26 8.076 12.318 1.100 1.00 0.00 H new ATOM 0 HA HIS A 26 8.282 10.571 -0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.899 12.516 -2.059 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.173 11.020 -2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.002 14.632 -1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.683 12.607 -3.160 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.498 14.871 -2.280 1.00 0.00 H new ATOM 472 N LYS A 27 10.563 9.976 0.928 1.00 0.00 N ATOM 473 CA LYS A 27 11.851 9.303 1.263 1.00 0.00 C ATOM 474 C LYS A 27 12.196 8.279 0.177 1.00 0.00 C ATOM 475 O LYS A 27 12.319 8.610 -0.986 1.00 0.00 O ATOM 476 CB LYS A 27 11.717 8.602 2.619 1.00 0.00 C ATOM 477 CG LYS A 27 13.105 8.225 3.144 1.00 0.00 C ATOM 478 CD LYS A 27 12.963 7.468 4.465 1.00 0.00 C ATOM 479 CE LYS A 27 14.347 7.244 5.078 1.00 0.00 C ATOM 480 NZ LYS A 27 14.698 8.400 5.949 1.00 0.00 N ATOM 0 H LYS A 27 9.832 9.888 1.634 1.00 0.00 H new ATOM 0 HA LYS A 27 12.648 10.044 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.214 9.258 3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.101 7.709 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.626 7.607 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.706 9.122 3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.336 8.033 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.469 6.511 4.296 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.354 6.322 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.091 7.130 4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.639 8.248 6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.707 9.272 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.993 8.489 6.709 1.00 0.00 H new ATOM 494 N VAL A 28 12.360 7.036 0.542 1.00 0.00 N ATOM 495 CA VAL A 28 12.702 6.000 -0.473 1.00 0.00 C ATOM 496 C VAL A 28 11.551 5.860 -1.470 1.00 0.00 C ATOM 497 O VAL A 28 11.763 5.703 -2.656 1.00 0.00 O ATOM 498 CB VAL A 28 12.940 4.659 0.223 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.185 3.574 -0.826 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.164 4.770 1.135 1.00 0.00 C ATOM 0 H VAL A 28 12.272 6.694 1.499 1.00 0.00 H new ATOM 0 HA VAL A 28 13.606 6.299 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 28 12.064 4.398 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.354 2.619 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.315 3.495 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.061 3.834 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.335 3.815 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.039 5.031 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.991 5.543 1.884 1.00 0.00 H new ATOM 510 N GLY A 29 10.334 5.912 -0.996 1.00 0.00 N ATOM 511 CA GLY A 29 9.162 5.780 -1.912 1.00 0.00 C ATOM 512 C GLY A 29 8.287 7.028 -1.806 1.00 0.00 C ATOM 513 O GLY A 29 8.387 7.793 -0.867 1.00 0.00 O ATOM 0 H GLY A 29 10.100 6.041 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.503 5.649 -2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.583 4.894 -1.653 1.00 0.00 H new ATOM 517 N PRO A 30 7.432 7.228 -2.770 1.00 0.00 N ATOM 518 CA PRO A 30 6.510 8.400 -2.807 1.00 0.00 C ATOM 519 C PRO A 30 5.535 8.408 -1.627 1.00 0.00 C ATOM 520 O PRO A 30 5.222 7.379 -1.064 1.00 0.00 O ATOM 521 CB PRO A 30 5.750 8.246 -4.129 1.00 0.00 C ATOM 522 CG PRO A 30 5.926 6.820 -4.537 1.00 0.00 C ATOM 523 CD PRO A 30 7.248 6.351 -3.933 1.00 0.00 C ATOM 0 HA PRO A 30 7.059 9.339 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.695 8.489 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.145 8.921 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.098 6.209 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.942 6.727 -5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.204 5.302 -3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.069 6.450 -4.643 1.00 0.00 H new ATOM 531 N ASN A 31 5.052 9.559 -1.246 1.00 0.00 N ATOM 532 CA ASN A 31 4.100 9.626 -0.105 1.00 0.00 C ATOM 533 C ASN A 31 2.677 9.392 -0.624 1.00 0.00 C ATOM 534 O ASN A 31 2.274 9.952 -1.625 1.00 0.00 O ATOM 535 CB ASN A 31 4.183 11.011 0.542 1.00 0.00 C ATOM 536 CG ASN A 31 5.651 11.404 0.745 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.023 12.535 0.507 1.00 0.00 O ATOM 538 ND2 ASN A 31 6.508 10.516 1.174 1.00 0.00 N ATOM 0 H ASN A 31 5.277 10.456 -1.677 1.00 0.00 H new ATOM 0 HA ASN A 31 4.353 8.863 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.684 11.747 -0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.663 11.007 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.486 10.774 1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.199 9.565 1.375 1.00 0.00 H new ATOM 545 N LEU A 32 1.914 8.565 0.041 1.00 0.00 N ATOM 546 CA LEU A 32 0.521 8.296 -0.424 1.00 0.00 C ATOM 547 C LEU A 32 -0.444 9.300 0.212 1.00 0.00 C ATOM 548 O LEU A 32 -0.402 10.478 -0.070 1.00 0.00 O ATOM 549 CB LEU A 32 0.116 6.877 -0.019 1.00 0.00 C ATOM 550 CG LEU A 32 0.747 5.869 -0.981 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.263 5.848 -0.777 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.181 4.474 -0.703 1.00 0.00 C ATOM 0 H LEU A 32 2.194 8.065 0.885 1.00 0.00 H new ATOM 0 HA LEU A 32 0.479 8.396 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.440 6.673 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.970 6.779 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 32 0.520 6.158 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.712 5.130 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.670 6.840 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.488 5.559 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.631 3.756 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.408 4.187 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.900 4.485 -0.846 1.00 0.00 H new ATOM 564 N HIS A 33 -1.315 8.833 1.070 1.00 0.00 N ATOM 565 CA HIS A 33 -2.290 9.747 1.734 1.00 0.00 C ATOM 566 C HIS A 33 -3.446 10.054 0.779 1.00 0.00 C ATOM 567 O HIS A 33 -3.403 10.999 0.016 1.00 0.00 O ATOM 568 CB HIS A 33 -1.593 11.053 2.127 1.00 0.00 C ATOM 569 CG HIS A 33 -2.254 11.625 3.350 1.00 0.00 C ATOM 570 ND1 HIS A 33 -2.137 11.034 4.599 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.043 12.736 3.532 1.00 0.00 C ATOM 572 CE1 HIS A 33 -2.839 11.782 5.471 1.00 0.00 C ATOM 573 NE2 HIS A 33 -3.407 12.828 4.871 1.00 0.00 N ATOM 0 H HIS A 33 -1.392 7.852 1.340 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.679 9.261 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.537 10.869 2.324 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.645 11.767 1.305 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.334 13.429 2.757 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.930 11.562 6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.988 13.546 5.304 1.00 0.00 H new ATOM 582 N GLY A 34 -4.485 9.262 0.817 1.00 0.00 N ATOM 583 CA GLY A 34 -5.645 9.510 -0.087 1.00 0.00 C ATOM 584 C GLY A 34 -5.463 8.723 -1.384 1.00 0.00 C ATOM 585 O GLY A 34 -6.238 8.846 -2.311 1.00 0.00 O ATOM 0 H GLY A 34 -4.580 8.455 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.571 9.212 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.728 10.575 -0.305 1.00 0.00 H new ATOM 589 N ILE A 35 -4.444 7.913 -1.457 1.00 0.00 N ATOM 590 CA ILE A 35 -4.206 7.116 -2.694 1.00 0.00 C ATOM 591 C ILE A 35 -5.431 6.249 -2.996 1.00 0.00 C ATOM 592 O ILE A 35 -5.622 5.794 -4.106 1.00 0.00 O ATOM 593 CB ILE A 35 -2.984 6.219 -2.494 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.501 5.705 -3.852 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.362 5.034 -1.607 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.529 6.713 -4.467 1.00 0.00 C ATOM 0 H ILE A 35 -3.763 7.768 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.030 7.793 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.188 6.791 -2.017 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.011 4.739 -3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.351 5.552 -4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.491 4.394 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.707 5.399 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.158 4.462 -2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.186 6.345 -5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.034 7.670 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.673 6.844 -3.805 1.00 0.00 H new ATOM 608 N PHE A 36 -6.258 6.006 -2.016 1.00 0.00 N ATOM 609 CA PHE A 36 -7.461 5.163 -2.248 1.00 0.00 C ATOM 610 C PHE A 36 -8.386 5.840 -3.262 1.00 0.00 C ATOM 611 O PHE A 36 -8.643 7.025 -3.189 1.00 0.00 O ATOM 612 CB PHE A 36 -8.207 4.980 -0.927 1.00 0.00 C ATOM 613 CG PHE A 36 -7.391 4.113 -0.004 1.00 0.00 C ATOM 614 CD1 PHE A 36 -7.536 2.721 -0.048 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.493 4.695 0.898 1.00 0.00 C ATOM 616 CE1 PHE A 36 -6.784 1.912 0.807 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.738 3.884 1.754 1.00 0.00 C ATOM 618 CZ PHE A 36 -5.885 2.492 1.709 1.00 0.00 C ATOM 0 H PHE A 36 -6.151 6.356 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.152 4.193 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.391 5.949 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.180 4.523 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.230 2.273 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.382 5.769 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.896 0.838 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.043 4.332 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.304 1.866 2.371 1.00 0.00 H new ATOM 628 N GLY A 37 -8.891 5.091 -4.204 1.00 0.00 N ATOM 629 CA GLY A 37 -9.804 5.684 -5.220 1.00 0.00 C ATOM 630 C GLY A 37 -9.017 6.635 -6.121 1.00 0.00 C ATOM 631 O GLY A 37 -9.566 7.560 -6.687 1.00 0.00 O ATOM 0 H GLY A 37 -8.710 4.093 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.261 4.895 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.614 6.221 -4.727 1.00 0.00 H new ATOM 635 N ARG A 38 -7.733 6.424 -6.252 1.00 0.00 N ATOM 636 CA ARG A 38 -6.918 7.326 -7.112 1.00 0.00 C ATOM 637 C ARG A 38 -5.977 6.502 -7.993 1.00 0.00 C ATOM 638 O ARG A 38 -5.656 5.370 -7.692 1.00 0.00 O ATOM 639 CB ARG A 38 -6.096 8.270 -6.231 1.00 0.00 C ATOM 640 CG ARG A 38 -7.040 9.144 -5.406 1.00 0.00 C ATOM 641 CD ARG A 38 -6.235 10.219 -4.675 1.00 0.00 C ATOM 642 NE ARG A 38 -7.086 10.855 -3.631 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.716 11.980 -3.084 1.00 0.00 C ATOM 644 NH1 ARG A 38 -5.600 12.549 -3.451 1.00 0.00 N ATOM 645 NH2 ARG A 38 -7.463 12.538 -2.169 1.00 0.00 N ATOM 0 H ARG A 38 -7.217 5.668 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.585 7.908 -7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.445 7.696 -5.572 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.452 8.895 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.782 9.609 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.585 8.531 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.350 9.777 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.886 10.971 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.958 10.411 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.017 12.114 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.311 13.429 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.335 12.094 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.174 13.418 -1.741 1.00 0.00 H new ATOM 659 N HIS A 39 -5.530 7.068 -9.083 1.00 0.00 N ATOM 660 CA HIS A 39 -4.610 6.326 -9.987 1.00 0.00 C ATOM 661 C HIS A 39 -3.162 6.618 -9.588 1.00 0.00 C ATOM 662 O HIS A 39 -2.856 7.660 -9.044 1.00 0.00 O ATOM 663 CB HIS A 39 -4.843 6.774 -11.431 1.00 0.00 C ATOM 664 CG HIS A 39 -6.226 6.376 -11.863 1.00 0.00 C ATOM 665 ND1 HIS A 39 -7.319 7.221 -11.720 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.714 5.226 -12.436 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.397 6.575 -12.199 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.082 5.358 -12.646 1.00 0.00 N ATOM 0 H HIS A 39 -5.764 8.014 -9.385 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.801 5.256 -9.905 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.722 7.854 -11.512 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.101 6.320 -12.088 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.126 4.355 -12.685 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.394 6.990 -12.219 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.713 4.669 -13.056 1.00 0.00 H new ATOM 677 N SER A 40 -2.272 5.701 -9.845 1.00 0.00 N ATOM 678 CA SER A 40 -0.846 5.918 -9.474 1.00 0.00 C ATOM 679 C SER A 40 -0.259 7.068 -10.295 1.00 0.00 C ATOM 680 O SER A 40 -0.745 7.397 -11.358 1.00 0.00 O ATOM 681 CB SER A 40 -0.053 4.642 -9.754 1.00 0.00 C ATOM 682 OG SER A 40 0.095 4.485 -11.158 1.00 0.00 O ATOM 0 H SER A 40 -2.471 4.809 -10.297 1.00 0.00 H new ATOM 0 HA SER A 40 -0.786 6.168 -8.415 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.925 4.695 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.568 3.779 -9.331 1.00 0.00 H new ATOM 0 HG SER A 40 1.035 4.308 -11.370 1.00 0.00 H new ATOM 688 N GLY A 41 0.790 7.673 -9.809 1.00 0.00 N ATOM 689 CA GLY A 41 1.424 8.795 -10.556 1.00 0.00 C ATOM 690 C GLY A 41 0.862 10.134 -10.069 1.00 0.00 C ATOM 691 O GLY A 41 1.401 11.183 -10.359 1.00 0.00 O ATOM 0 H GLY A 41 1.237 7.437 -8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.505 8.772 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.240 8.681 -11.624 1.00 0.00 H new ATOM 695 N GLN A 42 -0.215 10.109 -9.334 1.00 0.00 N ATOM 696 CA GLN A 42 -0.804 11.386 -8.838 1.00 0.00 C ATOM 697 C GLN A 42 0.185 12.101 -7.916 1.00 0.00 C ATOM 698 O GLN A 42 0.285 13.311 -7.920 1.00 0.00 O ATOM 699 CB GLN A 42 -2.090 11.098 -8.061 1.00 0.00 C ATOM 700 CG GLN A 42 -2.769 12.422 -7.702 1.00 0.00 C ATOM 701 CD GLN A 42 -3.949 12.158 -6.769 1.00 0.00 C ATOM 702 OE1 GLN A 42 -3.766 11.712 -5.654 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.160 12.415 -7.179 1.00 0.00 N ATOM 0 H GLN A 42 -0.712 9.263 -9.056 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.025 12.022 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.761 10.482 -8.660 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.864 10.535 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.054 13.090 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.113 12.923 -8.607 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.313 12.790 -8.115 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.954 12.242 -6.563 1.00 0.00 H new ATOM 712 N ALA A 43 0.912 11.366 -7.117 1.00 0.00 N ATOM 713 CA ALA A 43 1.879 12.020 -6.193 1.00 0.00 C ATOM 714 C ALA A 43 2.817 12.924 -6.992 1.00 0.00 C ATOM 715 O ALA A 43 3.252 12.583 -8.074 1.00 0.00 O ATOM 716 CB ALA A 43 2.697 10.952 -5.464 1.00 0.00 C ATOM 0 H ALA A 43 0.878 10.348 -7.065 1.00 0.00 H new ATOM 0 HA ALA A 43 1.333 12.617 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.404 11.433 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.028 10.309 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.242 10.351 -6.192 1.00 0.00 H new ATOM 722 N GLU A 44 3.131 14.075 -6.461 1.00 0.00 N ATOM 723 CA GLU A 44 4.040 15.013 -7.178 1.00 0.00 C ATOM 724 C GLU A 44 5.302 15.235 -6.340 1.00 0.00 C ATOM 725 O GLU A 44 5.283 15.118 -5.132 1.00 0.00 O ATOM 726 CB GLU A 44 3.324 16.348 -7.392 1.00 0.00 C ATOM 727 CG GLU A 44 2.080 16.127 -8.254 1.00 0.00 C ATOM 728 CD GLU A 44 1.406 17.471 -8.532 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.809 18.451 -7.926 1.00 0.00 O ATOM 730 OE2 GLU A 44 0.496 17.499 -9.345 1.00 0.00 O ATOM 0 H GLU A 44 2.795 14.407 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 44 4.316 14.591 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.042 16.780 -6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.994 17.058 -7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.356 15.646 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.386 15.459 -7.745 1.00 0.00 H new ATOM 737 N GLY A 45 6.396 15.554 -6.974 1.00 0.00 N ATOM 738 CA GLY A 45 7.657 15.781 -6.212 1.00 0.00 C ATOM 739 C GLY A 45 8.480 14.493 -6.193 1.00 0.00 C ATOM 740 O GLY A 45 9.549 14.436 -5.617 1.00 0.00 O ATOM 0 H GLY A 45 6.472 15.667 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.232 16.586 -6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.428 16.094 -5.193 1.00 0.00 H new ATOM 744 N TYR A 46 7.994 13.457 -6.822 1.00 0.00 N ATOM 745 CA TYR A 46 8.752 12.176 -6.841 1.00 0.00 C ATOM 746 C TYR A 46 8.636 11.542 -8.231 1.00 0.00 C ATOM 747 O TYR A 46 7.844 11.966 -9.049 1.00 0.00 O ATOM 748 CB TYR A 46 8.185 11.219 -5.791 1.00 0.00 C ATOM 749 CG TYR A 46 9.105 10.025 -5.665 1.00 0.00 C ATOM 750 CD1 TYR A 46 10.275 10.125 -4.902 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.792 8.822 -6.310 1.00 0.00 C ATOM 752 CE1 TYR A 46 11.132 9.025 -4.784 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.649 7.720 -6.190 1.00 0.00 C ATOM 754 CZ TYR A 46 10.819 7.822 -5.428 1.00 0.00 C ATOM 755 OH TYR A 46 11.663 6.737 -5.312 1.00 0.00 O ATOM 0 H TYR A 46 7.105 13.444 -7.323 1.00 0.00 H new ATOM 0 HA TYR A 46 9.800 12.372 -6.613 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.092 11.726 -4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.185 10.895 -6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.516 11.052 -4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.891 8.744 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 46 12.035 9.104 -4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.407 6.791 -6.686 1.00 0.00 H new ATOM 0 HH TYR A 46 11.663 6.421 -4.385 1.00 0.00 H new ATOM 765 N SER A 47 9.426 10.538 -8.505 1.00 0.00 N ATOM 766 CA SER A 47 9.370 9.885 -9.846 1.00 0.00 C ATOM 767 C SER A 47 8.812 8.465 -9.713 1.00 0.00 C ATOM 768 O SER A 47 8.971 7.815 -8.700 1.00 0.00 O ATOM 769 CB SER A 47 10.779 9.822 -10.437 1.00 0.00 C ATOM 770 OG SER A 47 11.306 11.138 -10.539 1.00 0.00 O ATOM 0 H SER A 47 10.108 10.142 -7.858 1.00 0.00 H new ATOM 0 HA SER A 47 8.720 10.465 -10.501 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.423 9.208 -9.807 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.753 9.351 -11.420 1.00 0.00 H new ATOM 0 HG SER A 47 12.210 11.100 -10.916 1.00 0.00 H new ATOM 776 N TYR A 48 8.160 7.985 -10.737 1.00 0.00 N ATOM 777 CA TYR A 48 7.585 6.609 -10.691 1.00 0.00 C ATOM 778 C TYR A 48 8.382 5.691 -11.619 1.00 0.00 C ATOM 779 O TYR A 48 8.945 6.126 -12.602 1.00 0.00 O ATOM 780 CB TYR A 48 6.128 6.649 -11.161 1.00 0.00 C ATOM 781 CG TYR A 48 5.250 7.222 -10.074 1.00 0.00 C ATOM 782 CD1 TYR A 48 5.448 8.534 -9.624 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.232 6.439 -9.518 1.00 0.00 C ATOM 784 CE1 TYR A 48 4.626 9.060 -8.620 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.413 6.964 -8.514 1.00 0.00 C ATOM 786 CZ TYR A 48 3.609 8.274 -8.065 1.00 0.00 C ATOM 787 OH TYR A 48 2.798 8.789 -7.076 1.00 0.00 O ATOM 0 H TYR A 48 8.000 8.490 -11.609 1.00 0.00 H new ATOM 0 HA TYR A 48 7.634 6.232 -9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.045 7.254 -12.064 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.793 5.644 -11.419 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.234 9.139 -10.051 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.079 5.428 -9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.776 10.072 -8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.629 6.358 -8.085 1.00 0.00 H new ATOM 0 HH TYR A 48 2.144 8.112 -6.803 1.00 0.00 H new ATOM 797 N THR A 49 8.434 4.421 -11.314 1.00 0.00 N ATOM 798 CA THR A 49 9.196 3.484 -12.185 1.00 0.00 C ATOM 799 C THR A 49 8.395 3.211 -13.460 1.00 0.00 C ATOM 800 O THR A 49 7.193 3.382 -13.499 1.00 0.00 O ATOM 801 CB THR A 49 9.429 2.166 -11.440 1.00 0.00 C ATOM 802 OG1 THR A 49 8.191 1.486 -11.284 1.00 0.00 O ATOM 803 CG2 THR A 49 10.032 2.454 -10.064 1.00 0.00 C ATOM 0 H THR A 49 7.984 3.996 -10.504 1.00 0.00 H new ATOM 0 HA THR A 49 10.157 3.929 -12.444 1.00 0.00 H new ATOM 0 HB THR A 49 10.117 1.543 -12.012 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.151 1.079 -10.393 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.197 1.515 -9.535 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.982 2.974 -10.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.347 3.078 -9.490 1.00 0.00 H new ATOM 811 N ASP A 50 9.054 2.793 -14.504 1.00 0.00 N ATOM 812 CA ASP A 50 8.340 2.513 -15.781 1.00 0.00 C ATOM 813 C ASP A 50 7.270 1.439 -15.561 1.00 0.00 C ATOM 814 O ASP A 50 6.237 1.443 -16.198 1.00 0.00 O ATOM 815 CB ASP A 50 9.341 2.024 -16.826 1.00 0.00 C ATOM 816 CG ASP A 50 10.290 3.165 -17.197 1.00 0.00 C ATOM 817 OD1 ASP A 50 10.007 4.291 -16.825 1.00 0.00 O ATOM 818 OD2 ASP A 50 11.286 2.893 -17.848 1.00 0.00 O ATOM 0 H ASP A 50 10.061 2.632 -14.528 1.00 0.00 H new ATOM 0 HA ASP A 50 7.861 3.428 -16.129 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.907 1.179 -16.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.814 1.672 -17.713 1.00 0.00 H new ATOM 823 N ALA A 51 7.517 0.509 -14.681 1.00 0.00 N ATOM 824 CA ALA A 51 6.519 -0.572 -14.440 1.00 0.00 C ATOM 825 C ALA A 51 5.157 0.030 -14.076 1.00 0.00 C ATOM 826 O ALA A 51 4.188 -0.140 -14.789 1.00 0.00 O ATOM 827 CB ALA A 51 7.004 -1.460 -13.291 1.00 0.00 C ATOM 0 H ALA A 51 8.366 0.450 -14.118 1.00 0.00 H new ATOM 0 HA ALA A 51 6.411 -1.164 -15.349 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.277 -2.252 -13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.965 -1.902 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.116 -0.859 -12.389 1.00 0.00 H new ATOM 833 N ASN A 52 5.068 0.723 -12.973 1.00 0.00 N ATOM 834 CA ASN A 52 3.758 1.317 -12.577 1.00 0.00 C ATOM 835 C ASN A 52 3.216 2.202 -13.706 1.00 0.00 C ATOM 836 O ASN A 52 2.049 2.150 -14.035 1.00 0.00 O ATOM 837 CB ASN A 52 3.938 2.155 -11.310 1.00 0.00 C ATOM 838 CG ASN A 52 2.582 2.709 -10.861 1.00 0.00 C ATOM 839 OD1 ASN A 52 2.312 3.880 -11.028 1.00 0.00 O ATOM 840 ND2 ASN A 52 1.712 1.914 -10.294 1.00 0.00 N ATOM 0 H ASN A 52 5.841 0.903 -12.332 1.00 0.00 H new ATOM 0 HA ASN A 52 3.047 0.513 -12.385 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.373 1.546 -10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.632 2.974 -11.500 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.808 2.279 -9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.937 0.929 -10.153 1.00 0.00 H new ATOM 847 N ILE A 53 4.047 3.015 -14.303 1.00 0.00 N ATOM 848 CA ILE A 53 3.564 3.889 -15.403 1.00 0.00 C ATOM 849 C ILE A 53 3.083 3.036 -16.578 1.00 0.00 C ATOM 850 O ILE A 53 2.020 3.258 -17.123 1.00 0.00 O ATOM 851 CB ILE A 53 4.710 4.787 -15.856 1.00 0.00 C ATOM 852 CG1 ILE A 53 5.191 5.640 -14.677 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.228 5.695 -16.982 1.00 0.00 C ATOM 854 CD1 ILE A 53 4.021 6.419 -14.068 1.00 0.00 C ATOM 0 H ILE A 53 5.037 3.109 -14.075 1.00 0.00 H new ATOM 0 HA ILE A 53 2.732 4.497 -15.048 1.00 0.00 H new ATOM 0 HB ILE A 53 5.535 4.171 -16.215 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.644 5.001 -13.919 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.962 6.333 -15.012 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.046 6.338 -17.307 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.890 5.086 -17.821 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.403 6.311 -16.625 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.380 7.020 -13.232 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.586 7.073 -14.824 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.263 5.720 -13.714 1.00 0.00 H new ATOM 866 N LYS A 54 3.855 2.061 -16.973 1.00 0.00 N ATOM 867 CA LYS A 54 3.436 1.197 -18.113 1.00 0.00 C ATOM 868 C LYS A 54 2.115 0.509 -17.769 1.00 0.00 C ATOM 869 O LYS A 54 1.249 0.352 -18.606 1.00 0.00 O ATOM 870 CB LYS A 54 4.511 0.140 -18.373 1.00 0.00 C ATOM 871 CG LYS A 54 4.150 -0.657 -19.629 1.00 0.00 C ATOM 872 CD LYS A 54 5.192 -1.752 -19.858 1.00 0.00 C ATOM 873 CE LYS A 54 4.919 -2.446 -21.194 1.00 0.00 C ATOM 874 NZ LYS A 54 6.001 -2.106 -22.161 1.00 0.00 N ATOM 0 H LYS A 54 4.756 1.826 -16.557 1.00 0.00 H new ATOM 0 HA LYS A 54 3.306 1.808 -19.006 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.483 0.618 -18.499 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.593 -0.529 -17.516 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.160 -1.100 -19.519 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.108 0.006 -20.493 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.193 -1.321 -19.858 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.157 -2.478 -19.045 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.870 -3.526 -21.052 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.952 -2.132 -21.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.816 -2.578 -23.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.027 -1.076 -22.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.916 -2.427 -21.785 1.00 0.00 H new ATOM 888 N LYS A 55 1.957 0.099 -16.542 1.00 0.00 N ATOM 889 CA LYS A 55 0.695 -0.580 -16.139 1.00 0.00 C ATOM 890 C LYS A 55 -0.298 0.455 -15.607 1.00 0.00 C ATOM 891 O LYS A 55 -1.337 0.692 -16.192 1.00 0.00 O ATOM 892 CB LYS A 55 0.996 -1.605 -15.042 1.00 0.00 C ATOM 893 CG LYS A 55 0.160 -2.865 -15.273 1.00 0.00 C ATOM 894 CD LYS A 55 -1.327 -2.523 -15.158 1.00 0.00 C ATOM 895 CE LYS A 55 -2.150 -3.810 -15.183 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.975 -4.486 -16.499 1.00 0.00 N ATOM 0 H LYS A 55 2.649 0.205 -15.800 1.00 0.00 H new ATOM 0 HA LYS A 55 0.264 -1.085 -17.004 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.057 -1.855 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.771 -1.182 -14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.373 -3.279 -16.258 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.425 -3.629 -14.542 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.515 -1.977 -14.234 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.626 -1.872 -15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.834 -4.472 -14.377 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.203 -3.584 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.692 -5.232 -16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.085 -3.790 -17.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.026 -4.909 -16.549 1.00 0.00 H new ATOM 910 N ASN A 56 0.010 1.067 -14.497 1.00 0.00 N ATOM 911 CA ASN A 56 -0.917 2.078 -13.918 1.00 0.00 C ATOM 912 C ASN A 56 -2.201 1.378 -13.478 1.00 0.00 C ATOM 913 O ASN A 56 -2.955 0.873 -14.285 1.00 0.00 O ATOM 914 CB ASN A 56 -1.239 3.152 -14.960 1.00 0.00 C ATOM 915 CG ASN A 56 -1.225 4.528 -14.289 1.00 0.00 C ATOM 916 OD1 ASN A 56 -0.264 4.822 -13.455 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -2.093 5.343 -14.529 1.00 0.00 N flip ATOM 0 H ASN A 56 0.866 0.910 -13.965 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.446 2.557 -13.059 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.508 3.121 -15.768 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.215 2.962 -15.405 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.843 5.112 -15.181 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.072 6.258 -14.079 1.00 0.00 H new ATOM 924 N VAL A 57 -2.439 1.325 -12.197 1.00 0.00 N ATOM 925 CA VAL A 57 -3.657 0.636 -11.687 1.00 0.00 C ATOM 926 C VAL A 57 -4.380 1.524 -10.673 1.00 0.00 C ATOM 927 O VAL A 57 -3.771 2.294 -9.959 1.00 0.00 O ATOM 928 CB VAL A 57 -3.235 -0.664 -11.007 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.284 -0.339 -9.855 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.471 -1.382 -10.458 1.00 0.00 C ATOM 0 H VAL A 57 -1.840 1.731 -11.479 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.331 0.428 -12.518 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.735 -1.309 -11.729 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.978 -1.263 -9.364 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.404 0.174 -10.243 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.791 0.304 -9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.167 -2.310 -9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.972 -0.741 -9.733 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.154 -1.607 -11.277 1.00 0.00 H new ATOM 940 N LEU A 58 -5.678 1.407 -10.595 1.00 0.00 N ATOM 941 CA LEU A 58 -6.447 2.229 -9.619 1.00 0.00 C ATOM 942 C LEU A 58 -6.220 1.664 -8.218 1.00 0.00 C ATOM 943 O LEU A 58 -6.323 0.473 -7.996 1.00 0.00 O ATOM 944 CB LEU A 58 -7.939 2.162 -9.966 1.00 0.00 C ATOM 945 CG LEU A 58 -8.756 2.960 -8.943 1.00 0.00 C ATOM 946 CD1 LEU A 58 -8.416 4.446 -9.051 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.248 2.760 -9.221 1.00 0.00 C ATOM 0 H LEU A 58 -6.240 0.776 -11.167 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.116 3.267 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.106 2.561 -10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.271 1.124 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.517 2.609 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.000 5.007 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.354 4.591 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.651 4.801 -10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.832 3.326 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.481 3.110 -10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.495 1.701 -9.139 1.00 0.00 H new ATOM 959 N TRP A 59 -5.903 2.504 -7.271 1.00 0.00 N ATOM 960 CA TRP A 59 -5.665 1.996 -5.894 1.00 0.00 C ATOM 961 C TRP A 59 -6.929 2.152 -5.049 1.00 0.00 C ATOM 962 O TRP A 59 -7.486 3.226 -4.921 1.00 0.00 O ATOM 963 CB TRP A 59 -4.515 2.774 -5.254 1.00 0.00 C ATOM 964 CG TRP A 59 -3.239 2.396 -5.931 1.00 0.00 C ATOM 965 CD1 TRP A 59 -2.596 3.147 -6.849 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.446 1.187 -5.764 1.00 0.00 C ATOM 967 NE1 TRP A 59 -1.460 2.472 -7.265 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.324 1.259 -6.621 1.00 0.00 C ATOM 969 CE3 TRP A 59 -2.592 0.047 -4.958 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.379 0.232 -6.680 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -1.645 -0.985 -5.011 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.540 -0.894 -5.871 1.00 0.00 C ATOM 0 H TRP A 59 -5.800 3.512 -7.391 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.404 0.939 -5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.688 3.846 -5.347 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.457 2.552 -4.189 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.915 4.117 -7.202 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -0.805 2.828 -7.961 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.439 -0.035 -4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.468 0.308 -7.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -1.767 -1.857 -4.385 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.185 -1.694 -5.907 1.00 0.00 H new ATOM 983 N ASP A 60 -7.366 1.072 -4.467 1.00 0.00 N ATOM 984 CA ASP A 60 -8.581 1.094 -3.607 1.00 0.00 C ATOM 985 C ASP A 60 -8.455 -0.024 -2.567 1.00 0.00 C ATOM 986 O ASP A 60 -7.473 -0.738 -2.534 1.00 0.00 O ATOM 987 CB ASP A 60 -9.829 0.876 -4.466 1.00 0.00 C ATOM 988 CG ASP A 60 -9.704 -0.445 -5.222 1.00 0.00 C ATOM 989 OD1 ASP A 60 -8.731 -1.140 -4.993 1.00 0.00 O ATOM 990 OD2 ASP A 60 -10.576 -0.732 -6.024 1.00 0.00 O ATOM 0 H ASP A 60 -6.924 0.157 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.671 2.058 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.719 0.864 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.947 1.700 -5.170 1.00 0.00 H new ATOM 995 N GLU A 61 -9.419 -0.178 -1.705 1.00 0.00 N ATOM 996 CA GLU A 61 -9.314 -1.241 -0.663 1.00 0.00 C ATOM 997 C GLU A 61 -9.176 -2.624 -1.313 1.00 0.00 C ATOM 998 O GLU A 61 -8.396 -3.448 -0.875 1.00 0.00 O ATOM 999 CB GLU A 61 -10.576 -1.223 0.200 1.00 0.00 C ATOM 1000 CG GLU A 61 -10.677 0.116 0.928 1.00 0.00 C ATOM 1001 CD GLU A 61 -11.912 0.111 1.830 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -12.679 -0.834 1.746 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.068 1.051 2.589 1.00 0.00 O ATOM 0 H GLU A 61 -10.271 0.381 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.432 -1.047 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.457 -1.378 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.548 -2.040 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.780 0.288 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.743 0.931 0.207 1.00 0.00 H new ATOM 1010 N ASN A 62 -9.926 -2.891 -2.345 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.837 -4.227 -3.007 1.00 0.00 C ATOM 1012 C ASN A 62 -8.485 -4.402 -3.702 1.00 0.00 C ATOM 1013 O ASN A 62 -7.823 -5.411 -3.555 1.00 0.00 O ATOM 1014 CB ASN A 62 -10.950 -4.341 -4.050 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.877 -5.713 -4.722 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -11.398 -6.683 -4.208 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.241 -5.833 -5.856 1.00 0.00 N ATOM 0 H ASN A 62 -10.597 -2.244 -2.760 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.943 -5.001 -2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.923 -4.207 -3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.847 -3.553 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.180 -6.743 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.805 -5.017 -6.285 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.087 -3.438 -4.480 1.00 0.00 N ATOM 1025 CA ASN A 63 -6.795 -3.541 -5.218 1.00 0.00 C ATOM 1026 C ASN A 63 -5.615 -3.688 -4.254 1.00 0.00 C ATOM 1027 O ASN A 63 -4.702 -4.454 -4.496 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.610 -2.285 -6.070 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.411 -2.464 -7.000 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.312 -3.450 -7.703 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -4.487 -1.543 -7.035 1.00 0.00 N ATOM 0 H ASN A 63 -8.605 -2.574 -4.639 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.824 -4.428 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.510 -2.095 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.458 -1.418 -5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.682 -1.651 -7.652 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.570 -0.715 -6.445 1.00 0.00 H new ATOM 1038 N MET A 64 -5.609 -2.960 -3.174 1.00 0.00 N ATOM 1039 CA MET A 64 -4.467 -3.070 -2.220 1.00 0.00 C ATOM 1040 C MET A 64 -4.369 -4.494 -1.673 1.00 0.00 C ATOM 1041 O MET A 64 -3.292 -5.014 -1.472 1.00 0.00 O ATOM 1042 CB MET A 64 -4.657 -2.088 -1.063 1.00 0.00 C ATOM 1043 CG MET A 64 -4.450 -0.663 -1.573 1.00 0.00 C ATOM 1044 SD MET A 64 -4.476 0.493 -0.182 1.00 0.00 S ATOM 1045 CE MET A 64 -4.241 2.002 -1.152 1.00 0.00 C ATOM 0 H MET A 64 -6.338 -2.298 -2.910 1.00 0.00 H new ATOM 0 HA MET A 64 -3.546 -2.829 -2.750 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.656 -2.194 -0.641 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.949 -2.307 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.499 -0.590 -2.101 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.232 -0.405 -2.287 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.065 2.842 -0.481 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.383 1.880 -1.813 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.133 2.194 -1.748 1.00 0.00 H new ATOM 1055 N SER A 65 -5.478 -5.130 -1.425 1.00 0.00 N ATOM 1056 CA SER A 65 -5.422 -6.518 -0.885 1.00 0.00 C ATOM 1057 C SER A 65 -4.704 -7.431 -1.883 1.00 0.00 C ATOM 1058 O SER A 65 -3.872 -8.238 -1.515 1.00 0.00 O ATOM 1059 CB SER A 65 -6.843 -7.034 -0.653 1.00 0.00 C ATOM 1060 OG SER A 65 -7.489 -7.209 -1.907 1.00 0.00 O ATOM 0 H SER A 65 -6.415 -4.754 -1.571 1.00 0.00 H new ATOM 0 HA SER A 65 -4.877 -6.516 0.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.815 -7.979 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.402 -6.329 -0.038 1.00 0.00 H new ATOM 0 HG SER A 65 -7.942 -6.378 -2.161 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.006 -7.305 -3.147 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.329 -8.161 -4.162 1.00 0.00 C ATOM 1068 C GLU A 66 -2.860 -7.747 -4.269 1.00 0.00 C ATOM 1069 O GLU A 66 -1.982 -8.566 -4.456 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.011 -7.983 -5.520 1.00 0.00 C ATOM 1071 CG GLU A 66 -4.408 -8.963 -6.526 1.00 0.00 C ATOM 1072 CD GLU A 66 -5.018 -8.717 -7.908 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.832 -7.815 -8.021 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -4.660 -9.434 -8.828 1.00 0.00 O ATOM 0 H GLU A 66 -5.691 -6.648 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.394 -9.207 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.083 -8.156 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.883 -6.959 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.326 -8.838 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.599 -9.989 -6.210 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.595 -6.476 -4.157 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.192 -5.985 -4.257 1.00 0.00 C ATOM 1083 C HIS A 67 -0.333 -6.620 -3.165 1.00 0.00 C ATOM 1084 O HIS A 67 0.761 -7.083 -3.415 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.197 -4.465 -4.090 1.00 0.00 C ATOM 1086 CG HIS A 67 0.209 -3.931 -4.168 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.953 -3.981 -5.334 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.017 -3.330 -3.236 1.00 0.00 C ATOM 1089 CE1 HIS A 67 2.151 -3.425 -5.078 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.239 -3.014 -3.815 1.00 0.00 N ATOM 0 H HIS A 67 -3.295 -5.751 -3.999 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.775 -6.256 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.811 -4.008 -4.866 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.643 -4.198 -3.132 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.648 -4.369 -6.226 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.744 -3.133 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.942 -3.325 -5.806 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.813 -6.644 -1.957 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.022 -7.242 -0.851 1.00 0.00 C ATOM 1101 C LEU A 68 0.214 -8.727 -1.119 1.00 0.00 C ATOM 1102 O LEU A 68 1.220 -9.275 -0.724 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.775 -7.064 0.466 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.950 -5.571 0.752 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.712 -5.385 2.066 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.425 -4.910 0.873 1.00 0.00 C ATOM 0 H LEU A 68 -1.724 -6.273 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 68 0.943 -6.740 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.748 -7.552 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.226 -7.540 1.279 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.509 -5.112 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.835 -4.321 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.692 -5.856 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.152 -5.846 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.301 -3.846 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.981 -5.373 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.974 -5.039 -0.060 1.00 0.00 H new ATOM 1118 N THR A 69 -0.697 -9.390 -1.776 1.00 0.00 N ATOM 1119 CA THR A 69 -0.486 -10.837 -2.049 1.00 0.00 C ATOM 1120 C THR A 69 0.334 -10.998 -3.332 1.00 0.00 C ATOM 1121 O THR A 69 -0.006 -10.463 -4.368 1.00 0.00 O ATOM 1122 CB THR A 69 -1.839 -11.532 -2.214 1.00 0.00 C ATOM 1123 OG1 THR A 69 -2.699 -11.148 -1.150 1.00 0.00 O ATOM 1124 CG2 THR A 69 -1.640 -13.049 -2.184 1.00 0.00 C ATOM 0 H THR A 69 -1.569 -8.997 -2.132 1.00 0.00 H new ATOM 0 HA THR A 69 0.051 -11.289 -1.215 1.00 0.00 H new ATOM 0 HB THR A 69 -2.284 -11.242 -3.166 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.046 -10.247 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.604 -13.545 -2.301 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.978 -13.345 -2.998 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.197 -13.339 -1.231 1.00 0.00 H new ATOM 1132 N ASN A 70 1.409 -11.737 -3.268 1.00 0.00 N ATOM 1133 CA ASN A 70 2.258 -11.946 -4.478 1.00 0.00 C ATOM 1134 C ASN A 70 2.371 -10.642 -5.277 1.00 0.00 C ATOM 1135 O ASN A 70 2.010 -10.587 -6.436 1.00 0.00 O ATOM 1136 CB ASN A 70 1.624 -13.026 -5.358 1.00 0.00 C ATOM 1137 CG ASN A 70 1.976 -14.408 -4.805 1.00 0.00 C ATOM 1138 OD1 ASN A 70 2.575 -14.503 -3.650 1.00 0.00 O flip ATOM 1139 ND2 ASN A 70 1.705 -15.413 -5.432 1.00 0.00 N flip ATOM 0 H ASN A 70 1.738 -12.208 -2.425 1.00 0.00 H new ATOM 0 HA ASN A 70 3.254 -12.258 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.542 -12.899 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.982 -12.931 -6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.237 -15.340 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.946 -16.330 -5.055 1.00 0.00 H new ATOM 1146 N PRO A 71 2.870 -9.600 -4.664 1.00 0.00 N ATOM 1147 CA PRO A 71 3.036 -8.273 -5.329 1.00 0.00 C ATOM 1148 C PRO A 71 3.932 -8.335 -6.574 1.00 0.00 C ATOM 1149 O PRO A 71 3.888 -7.464 -7.421 1.00 0.00 O ATOM 1150 CB PRO A 71 3.687 -7.384 -4.263 1.00 0.00 C ATOM 1151 CG PRO A 71 4.174 -8.303 -3.191 1.00 0.00 C ATOM 1152 CD PRO A 71 3.326 -9.569 -3.270 1.00 0.00 C ATOM 0 HA PRO A 71 2.075 -7.899 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.511 -6.809 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.970 -6.667 -3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.229 -8.536 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.080 -7.836 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.908 -10.456 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.487 -9.532 -2.576 1.00 0.00 H new ATOM 1160 N ALA A 72 4.754 -9.343 -6.686 1.00 0.00 N ATOM 1161 CA ALA A 72 5.657 -9.434 -7.871 1.00 0.00 C ATOM 1162 C ALA A 72 4.830 -9.507 -9.158 1.00 0.00 C ATOM 1163 O ALA A 72 4.957 -8.676 -10.035 1.00 0.00 O ATOM 1164 CB ALA A 72 6.523 -10.689 -7.753 1.00 0.00 C ATOM 0 H ALA A 72 4.840 -10.104 -6.013 1.00 0.00 H new ATOM 0 HA ALA A 72 6.292 -8.549 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.184 -10.758 -8.617 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.121 -10.634 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.883 -11.570 -7.714 1.00 0.00 H new ATOM 1170 N LYS A 73 3.986 -10.494 -9.281 1.00 0.00 N ATOM 1171 CA LYS A 73 3.156 -10.615 -10.515 1.00 0.00 C ATOM 1172 C LYS A 73 2.256 -9.383 -10.651 1.00 0.00 C ATOM 1173 O LYS A 73 1.956 -8.935 -11.740 1.00 0.00 O ATOM 1174 CB LYS A 73 2.288 -11.871 -10.424 1.00 0.00 C ATOM 1175 CG LYS A 73 3.187 -13.110 -10.405 1.00 0.00 C ATOM 1176 CD LYS A 73 2.321 -14.371 -10.431 1.00 0.00 C ATOM 1177 CE LYS A 73 3.213 -15.606 -10.294 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.816 -16.621 -11.310 1.00 0.00 N ATOM 0 H LYS A 73 3.834 -11.221 -8.582 1.00 0.00 H new ATOM 0 HA LYS A 73 3.809 -10.685 -11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.676 -11.839 -9.523 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.605 -11.917 -11.272 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.857 -13.099 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.813 -13.104 -9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.594 -14.343 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.757 -14.418 -11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.259 -15.329 -10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.122 -16.024 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.422 -17.461 -11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.823 -16.892 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.925 -16.219 -12.263 1.00 0.00 H new ATOM 1192 N TYR A 74 1.818 -8.841 -9.550 1.00 0.00 N ATOM 1193 CA TYR A 74 0.929 -7.645 -9.598 1.00 0.00 C ATOM 1194 C TYR A 74 1.605 -6.501 -10.362 1.00 0.00 C ATOM 1195 O TYR A 74 1.014 -5.900 -11.238 1.00 0.00 O ATOM 1196 CB TYR A 74 0.637 -7.207 -8.165 1.00 0.00 C ATOM 1197 CG TYR A 74 -0.174 -5.939 -8.169 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.571 -5.987 -8.238 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.480 -4.708 -8.088 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.309 -4.798 -8.225 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.254 -3.522 -8.076 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.648 -3.565 -8.144 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.369 -2.394 -8.124 1.00 0.00 O ATOM 0 H TYR A 74 2.038 -9.176 -8.612 1.00 0.00 H new ATOM 0 HA TYR A 74 0.003 -7.898 -10.115 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.095 -7.993 -7.639 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.572 -7.049 -7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.078 -6.939 -8.301 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.558 -4.674 -8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.387 -4.831 -8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.255 -2.572 -8.014 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.941 -1.757 -7.515 1.00 0.00 H new ATOM 1213 N ILE A 75 2.833 -6.191 -10.047 1.00 0.00 N ATOM 1214 CA ILE A 75 3.528 -5.086 -10.768 1.00 0.00 C ATOM 1215 C ILE A 75 5.043 -5.339 -10.744 1.00 0.00 C ATOM 1216 O ILE A 75 5.758 -4.806 -9.923 1.00 0.00 O ATOM 1217 CB ILE A 75 3.189 -3.746 -10.094 1.00 0.00 C ATOM 1218 CG1 ILE A 75 3.691 -2.587 -10.954 1.00 0.00 C ATOM 1219 CG2 ILE A 75 3.845 -3.657 -8.715 1.00 0.00 C ATOM 1220 CD1 ILE A 75 2.670 -2.282 -12.054 1.00 0.00 C ATOM 0 H ILE A 75 3.384 -6.653 -9.324 1.00 0.00 H new ATOM 0 HA ILE A 75 3.196 -5.048 -11.806 1.00 0.00 H new ATOM 0 HB ILE A 75 2.106 -3.685 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.848 -1.704 -10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.654 -2.841 -11.398 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.594 -2.702 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.482 -4.470 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.927 -3.735 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.030 -1.455 -12.666 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.535 -3.164 -12.680 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.717 -2.009 -11.600 1.00 0.00 H new ATOM 1232 N PRO A 76 5.530 -6.164 -11.637 1.00 0.00 N ATOM 1233 CA PRO A 76 6.979 -6.497 -11.706 1.00 0.00 C ATOM 1234 C PRO A 76 7.806 -5.369 -12.326 1.00 0.00 C ATOM 1235 O PRO A 76 7.325 -4.607 -13.141 1.00 0.00 O ATOM 1236 CB PRO A 76 7.031 -7.752 -12.578 1.00 0.00 C ATOM 1237 CG PRO A 76 5.787 -7.733 -13.405 1.00 0.00 C ATOM 1238 CD PRO A 76 4.757 -6.862 -12.678 1.00 0.00 C ATOM 0 HA PRO A 76 7.405 -6.647 -10.714 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.919 -7.751 -13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.077 -8.652 -11.964 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.994 -7.333 -14.398 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.404 -8.744 -13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.283 -6.156 -13.360 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.962 -7.468 -12.243 1.00 0.00 H new ATOM 1246 N GLY A 77 9.051 -5.258 -11.947 1.00 0.00 N ATOM 1247 CA GLY A 77 9.910 -4.181 -12.512 1.00 0.00 C ATOM 1248 C GLY A 77 9.957 -2.997 -11.542 1.00 0.00 C ATOM 1249 O GLY A 77 10.587 -1.993 -11.807 1.00 0.00 O ATOM 0 H GLY A 77 9.509 -5.868 -11.270 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.917 -4.560 -12.688 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.518 -3.858 -13.477 1.00 0.00 H new ATOM 1253 N THR A 78 9.297 -3.108 -10.422 1.00 0.00 N ATOM 1254 CA THR A 78 9.309 -1.988 -9.438 1.00 0.00 C ATOM 1255 C THR A 78 10.429 -2.209 -8.419 1.00 0.00 C ATOM 1256 O THR A 78 10.992 -3.281 -8.320 1.00 0.00 O ATOM 1257 CB THR A 78 7.962 -1.920 -8.718 1.00 0.00 C ATOM 1258 OG1 THR A 78 7.743 -3.131 -8.006 1.00 0.00 O ATOM 1259 CG2 THR A 78 6.845 -1.713 -9.742 1.00 0.00 C ATOM 0 H THR A 78 8.751 -3.924 -10.146 1.00 0.00 H new ATOM 0 HA THR A 78 9.482 -1.049 -9.964 1.00 0.00 H new ATOM 0 HB THR A 78 7.966 -1.086 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.167 -3.722 -8.535 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.885 -1.665 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.015 -0.782 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.838 -2.545 -10.446 1.00 0.00 H new ATOM 1267 N LYS A 79 10.762 -1.195 -7.669 1.00 0.00 N ATOM 1268 CA LYS A 79 11.853 -1.330 -6.662 1.00 0.00 C ATOM 1269 C LYS A 79 11.270 -1.737 -5.303 1.00 0.00 C ATOM 1270 O LYS A 79 11.930 -1.642 -4.288 1.00 0.00 O ATOM 1271 CB LYS A 79 12.574 0.011 -6.523 1.00 0.00 C ATOM 1272 CG LYS A 79 13.179 0.411 -7.871 1.00 0.00 C ATOM 1273 CD LYS A 79 14.038 1.665 -7.695 1.00 0.00 C ATOM 1274 CE LYS A 79 13.146 2.849 -7.312 1.00 0.00 C ATOM 1275 NZ LYS A 79 13.859 4.123 -7.607 1.00 0.00 N ATOM 0 H LYS A 79 10.324 -0.275 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 79 12.553 -2.098 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.876 0.777 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.357 -0.062 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.785 -0.405 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.387 0.599 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.789 1.498 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.573 1.884 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.209 2.807 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.891 2.799 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.254 4.928 -7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.742 4.162 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.080 4.170 -8.622 1.00 0.00 H new ATOM 1289 N MET A 80 10.042 -2.181 -5.267 1.00 0.00 N ATOM 1290 CA MET A 80 9.440 -2.579 -3.960 1.00 0.00 C ATOM 1291 C MET A 80 9.934 -3.968 -3.556 1.00 0.00 C ATOM 1292 O MET A 80 9.959 -4.888 -4.348 1.00 0.00 O ATOM 1293 CB MET A 80 7.913 -2.602 -4.071 1.00 0.00 C ATOM 1294 CG MET A 80 7.389 -1.186 -4.302 1.00 0.00 C ATOM 1295 SD MET A 80 5.864 -0.945 -3.355 1.00 0.00 S ATOM 1296 CE MET A 80 4.706 -1.385 -4.672 1.00 0.00 C ATOM 0 H MET A 80 9.433 -2.285 -6.079 1.00 0.00 H new ATOM 0 HA MET A 80 9.739 -1.853 -3.204 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.609 -3.251 -4.893 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.479 -3.016 -3.161 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.138 -0.455 -3.997 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.200 -1.025 -5.363 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.710 -1.024 -4.416 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.028 -0.928 -5.608 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.681 -2.469 -4.787 1.00 0.00 H new ATOM 1306 N ALA A 81 10.321 -4.123 -2.317 1.00 0.00 N ATOM 1307 CA ALA A 81 10.810 -5.446 -1.836 1.00 0.00 C ATOM 1308 C ALA A 81 9.805 -6.015 -0.832 1.00 0.00 C ATOM 1309 O ALA A 81 10.153 -6.782 0.044 1.00 0.00 O ATOM 1310 CB ALA A 81 12.164 -5.269 -1.152 1.00 0.00 C ATOM 0 H ALA A 81 10.319 -3.384 -1.614 1.00 0.00 H new ATOM 0 HA ALA A 81 10.916 -6.128 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.523 -6.236 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.879 -4.854 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.058 -4.591 -0.305 1.00 0.00 H new ATOM 1316 N PHE A 82 8.562 -5.641 -0.951 1.00 0.00 N ATOM 1317 CA PHE A 82 7.532 -6.151 -0.002 1.00 0.00 C ATOM 1318 C PHE A 82 7.160 -7.584 -0.395 1.00 0.00 C ATOM 1319 O PHE A 82 6.884 -7.869 -1.543 1.00 0.00 O ATOM 1320 CB PHE A 82 6.293 -5.255 -0.082 1.00 0.00 C ATOM 1321 CG PHE A 82 5.337 -5.588 1.041 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.490 -4.979 2.293 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.290 -6.493 0.829 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.599 -5.277 3.331 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.399 -6.789 1.866 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.552 -6.181 3.117 1.00 0.00 C ATOM 0 H PHE A 82 8.213 -5.003 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 82 7.921 -6.142 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.588 -4.207 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.798 -5.391 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.296 -4.279 2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.170 -6.963 -0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.720 -4.809 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.592 -7.488 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.863 -6.409 3.917 1.00 0.00 H new ATOM 1336 N GLY A 83 7.162 -8.485 0.546 1.00 0.00 N ATOM 1337 CA GLY A 83 6.820 -9.900 0.223 1.00 0.00 C ATOM 1338 C GLY A 83 5.313 -10.119 0.368 1.00 0.00 C ATOM 1339 O GLY A 83 4.575 -9.219 0.718 1.00 0.00 O ATOM 0 H GLY A 83 7.385 -8.304 1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.134 -10.136 -0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.360 -10.574 0.888 1.00 0.00 H new ATOM 1343 N GLY A 84 4.853 -11.311 0.104 1.00 0.00 N ATOM 1344 CA GLY A 84 3.395 -11.593 0.231 1.00 0.00 C ATOM 1345 C GLY A 84 3.065 -11.917 1.690 1.00 0.00 C ATOM 1346 O GLY A 84 3.859 -12.504 2.397 1.00 0.00 O ATOM 0 H GLY A 84 5.424 -12.102 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.816 -10.731 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.118 -12.430 -0.410 1.00 0.00 H new ATOM 1350 N LEU A 85 1.900 -11.542 2.148 1.00 0.00 N ATOM 1351 CA LEU A 85 1.535 -11.838 3.563 1.00 0.00 C ATOM 1352 C LEU A 85 0.712 -13.127 3.615 1.00 0.00 C ATOM 1353 O LEU A 85 -0.361 -13.214 3.052 1.00 0.00 O ATOM 1354 CB LEU A 85 0.707 -10.683 4.130 1.00 0.00 C ATOM 1355 CG LEU A 85 1.484 -9.374 3.978 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.700 -8.236 4.635 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.848 -9.506 4.658 1.00 0.00 C ATOM 0 H LEU A 85 1.190 -11.047 1.608 1.00 0.00 H new ATOM 0 HA LEU A 85 2.442 -11.959 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.247 -10.615 3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.482 -10.865 5.181 1.00 0.00 H new ATOM 0 HG LEU A 85 1.624 -9.158 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.253 -7.303 4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.273 -8.139 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.560 -8.454 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.401 -8.573 4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.707 -9.723 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.409 -10.317 4.193 1.00 0.00 H new ATOM 1369 N LYS A 86 1.210 -14.128 4.286 1.00 0.00 N ATOM 1370 CA LYS A 86 0.463 -15.415 4.378 1.00 0.00 C ATOM 1371 C LYS A 86 -0.846 -15.212 5.147 1.00 0.00 C ATOM 1372 O LYS A 86 -1.861 -15.793 4.820 1.00 0.00 O ATOM 1373 CB LYS A 86 1.323 -16.451 5.103 1.00 0.00 C ATOM 1374 CG LYS A 86 0.613 -17.806 5.084 1.00 0.00 C ATOM 1375 CD LYS A 86 1.507 -18.862 5.738 1.00 0.00 C ATOM 1376 CE LYS A 86 1.676 -18.547 7.227 1.00 0.00 C ATOM 1377 NZ LYS A 86 3.019 -17.944 7.458 1.00 0.00 N ATOM 0 H LYS A 86 2.104 -14.111 4.776 1.00 0.00 H new ATOM 0 HA LYS A 86 0.233 -15.765 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.297 -16.532 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.501 -16.136 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.336 -17.738 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.384 -18.094 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.067 -19.852 5.614 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.481 -18.882 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.896 -17.860 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.568 -19.457 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.961 -17.255 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.697 -18.692 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.337 -17.463 6.592 1.00 0.00 H new ATOM 1391 N LYS A 87 -0.830 -14.408 6.176 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.076 -14.196 6.968 1.00 0.00 C ATOM 1393 C LYS A 87 -2.926 -13.092 6.337 1.00 0.00 C ATOM 1394 O LYS A 87 -2.458 -12.004 6.070 1.00 0.00 O ATOM 1395 CB LYS A 87 -1.717 -13.799 8.397 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.004 -14.962 9.087 1.00 0.00 C ATOM 1397 CD LYS A 87 -0.804 -14.624 10.563 1.00 0.00 C ATOM 1398 CE LYS A 87 0.018 -15.728 11.234 1.00 0.00 C ATOM 1399 NZ LYS A 87 1.426 -15.660 10.755 1.00 0.00 N ATOM 0 H LYS A 87 -0.013 -13.891 6.501 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.646 -15.125 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.075 -12.918 8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.618 -13.533 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.591 -15.875 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.041 -15.148 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.294 -13.666 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.770 -14.524 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.015 -15.613 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.409 -16.704 11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.044 -16.169 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.494 -16.097 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.725 -14.666 10.697 1.00 0.00 H new ATOM 1413 N GLU A 88 -4.177 -13.374 6.106 1.00 0.00 N ATOM 1414 CA GLU A 88 -5.081 -12.358 5.500 1.00 0.00 C ATOM 1415 C GLU A 88 -5.461 -11.307 6.548 1.00 0.00 C ATOM 1416 O GLU A 88 -5.738 -10.168 6.226 1.00 0.00 O ATOM 1417 CB GLU A 88 -6.349 -13.045 4.988 1.00 0.00 C ATOM 1418 CG GLU A 88 -5.986 -14.004 3.851 1.00 0.00 C ATOM 1419 CD GLU A 88 -7.261 -14.640 3.296 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -8.305 -14.454 3.900 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -7.171 -15.304 2.276 1.00 0.00 O ATOM 0 H GLU A 88 -4.615 -14.272 6.313 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.567 -11.870 4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.832 -13.591 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.062 -12.300 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.461 -13.467 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.309 -14.777 4.215 1.00 0.00 H new ATOM 1428 N LYS A 89 -5.499 -11.684 7.798 1.00 0.00 N ATOM 1429 CA LYS A 89 -5.886 -10.708 8.860 1.00 0.00 C ATOM 1430 C LYS A 89 -4.979 -9.478 8.799 1.00 0.00 C ATOM 1431 O LYS A 89 -5.444 -8.355 8.828 1.00 0.00 O ATOM 1432 CB LYS A 89 -5.752 -11.370 10.233 1.00 0.00 C ATOM 1433 CG LYS A 89 -6.751 -12.522 10.345 1.00 0.00 C ATOM 1434 CD LYS A 89 -6.702 -13.108 11.757 1.00 0.00 C ATOM 1435 CE LYS A 89 -7.612 -14.332 11.836 1.00 0.00 C ATOM 1436 NZ LYS A 89 -7.272 -15.279 10.736 1.00 0.00 N ATOM 0 H LYS A 89 -5.280 -12.623 8.130 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.919 -10.398 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.736 -11.741 10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.935 -10.639 11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.757 -12.167 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.516 -13.293 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.679 -13.386 12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.019 -12.360 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.495 -14.823 12.802 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.656 -14.028 11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.537 -16.245 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.792 -15.013 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.250 -15.241 10.549 1.00 0.00 H new ATOM 1450 N ASP A 90 -3.692 -9.668 8.705 1.00 0.00 N ATOM 1451 CA ASP A 90 -2.780 -8.496 8.635 1.00 0.00 C ATOM 1452 C ASP A 90 -3.079 -7.715 7.356 1.00 0.00 C ATOM 1453 O ASP A 90 -3.065 -6.501 7.335 1.00 0.00 O ATOM 1454 CB ASP A 90 -1.330 -8.980 8.613 1.00 0.00 C ATOM 1455 CG ASP A 90 -0.999 -9.664 9.939 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -1.771 -9.510 10.872 1.00 0.00 O ATOM 1457 OD2 ASP A 90 0.021 -10.330 10.003 1.00 0.00 O ATOM 0 H ASP A 90 -3.236 -10.580 8.674 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.930 -7.855 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.180 -9.674 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.657 -8.138 8.448 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.350 -8.413 6.288 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.651 -7.734 4.999 1.00 0.00 C ATOM 1464 C ARG A 91 -4.893 -6.850 5.149 1.00 0.00 C ATOM 1465 O ARG A 91 -4.920 -5.722 4.696 1.00 0.00 O ATOM 1466 CB ARG A 91 -3.915 -8.800 3.933 1.00 0.00 C ATOM 1467 CG ARG A 91 -4.110 -8.134 2.570 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.549 -9.189 1.552 1.00 0.00 C ATOM 1469 NE ARG A 91 -3.515 -10.259 1.471 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.852 -11.468 1.108 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -5.092 -11.739 0.805 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.945 -12.405 1.045 1.00 0.00 N ATOM 0 H ARG A 91 -3.376 -9.432 6.254 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.805 -7.110 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.080 -9.499 3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.801 -9.378 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.860 -7.346 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.182 -7.663 2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.508 -9.616 1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.690 -8.730 0.574 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.544 -10.047 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.800 -11.006 0.851 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.353 -12.683 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.975 -12.193 1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.206 -13.349 0.762 1.00 0.00 H new ATOM 1486 N ASN A 92 -5.925 -7.356 5.768 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.167 -6.547 5.931 1.00 0.00 C ATOM 1488 C ASN A 92 -6.911 -5.356 6.857 1.00 0.00 C ATOM 1489 O ASN A 92 -7.262 -4.234 6.548 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.268 -7.424 6.531 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.590 -6.654 6.532 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -10.237 -6.489 5.411 1.00 0.00 O flip ATOM 1493 ND2 ASN A 92 -10.038 -6.196 7.565 1.00 0.00 N flip ATOM 0 H ASN A 92 -5.962 -8.294 6.168 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.476 -6.176 4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.371 -8.343 5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.003 -7.714 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.532 -6.325 8.441 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.919 -5.683 7.555 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.311 -5.585 7.994 1.00 0.00 N ATOM 1501 CA ASP A 93 -6.051 -4.462 8.935 1.00 0.00 C ATOM 1502 C ASP A 93 -5.064 -3.475 8.307 1.00 0.00 C ATOM 1503 O ASP A 93 -5.185 -2.277 8.466 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.471 -5.011 10.238 1.00 0.00 C ATOM 1505 CG ASP A 93 -5.527 -3.927 11.315 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -5.908 -2.816 10.990 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.186 -4.228 12.448 1.00 0.00 O ATOM 0 H ASP A 93 -5.991 -6.500 8.310 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.987 -3.945 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.034 -5.887 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.441 -5.333 10.083 1.00 0.00 H new ATOM 1512 N LEU A 94 -4.082 -3.967 7.602 1.00 0.00 N ATOM 1513 CA LEU A 94 -3.086 -3.050 6.980 1.00 0.00 C ATOM 1514 C LEU A 94 -3.799 -2.010 6.110 1.00 0.00 C ATOM 1515 O LEU A 94 -3.517 -0.830 6.188 1.00 0.00 O ATOM 1516 CB LEU A 94 -2.119 -3.864 6.117 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.141 -2.923 5.412 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.415 -2.067 6.447 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.114 -3.746 4.636 1.00 0.00 C ATOM 0 H LEU A 94 -3.927 -4.960 7.430 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.534 -2.535 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.572 -4.574 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.674 -4.445 5.381 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.693 -2.279 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.281 -1.398 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.142 -1.479 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.135 -2.713 7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.584 -3.076 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.433 -4.389 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.625 -4.361 3.895 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.718 -2.429 5.283 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.433 -1.449 4.420 1.00 0.00 C ATOM 1533 C ILE A 95 -6.322 -0.559 5.295 1.00 0.00 C ATOM 1534 O ILE A 95 -6.422 0.634 5.089 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.294 -2.198 3.404 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.416 -3.174 2.618 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -6.926 -1.198 2.433 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.292 -4.013 1.685 1.00 0.00 C ATOM 0 H ILE A 95 -5.003 -3.402 5.169 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.709 -0.830 3.890 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.078 -2.745 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.672 -2.626 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.872 -3.823 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.540 -1.733 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.548 -0.496 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.140 -0.652 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.666 -4.708 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.019 -4.573 2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.816 -3.357 0.990 1.00 0.00 H new ATOM 1550 N THR A 96 -6.971 -1.138 6.268 1.00 0.00 N ATOM 1551 CA THR A 96 -7.859 -0.344 7.162 1.00 0.00 C ATOM 1552 C THR A 96 -7.054 0.757 7.860 1.00 0.00 C ATOM 1553 O THR A 96 -7.507 1.876 7.992 1.00 0.00 O ATOM 1554 CB THR A 96 -8.468 -1.268 8.219 1.00 0.00 C ATOM 1555 OG1 THR A 96 -9.112 -2.359 7.577 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.486 -0.490 9.054 1.00 0.00 C ATOM 0 H THR A 96 -6.923 -2.134 6.483 1.00 0.00 H new ATOM 0 HA THR A 96 -8.649 0.113 6.566 1.00 0.00 H new ATOM 0 HB THR A 96 -7.680 -1.644 8.871 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.688 -2.022 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.919 -1.149 9.806 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.990 0.346 9.546 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.276 -0.112 8.405 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.867 0.457 8.314 1.00 0.00 N ATOM 1565 CA TYR A 97 -5.065 1.511 8.999 1.00 0.00 C ATOM 1566 C TYR A 97 -4.822 2.662 8.023 1.00 0.00 C ATOM 1567 O TYR A 97 -5.068 3.812 8.331 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.730 0.924 9.461 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.950 1.983 10.203 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -3.222 2.236 11.552 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.956 2.712 9.540 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -2.500 3.219 12.240 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -1.233 3.695 10.228 1.00 0.00 C ATOM 1574 CZ TYR A 97 -1.506 3.948 11.578 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.794 4.917 12.255 1.00 0.00 O ATOM 0 H TYR A 97 -5.423 -0.458 8.242 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.606 1.881 9.870 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.902 0.063 10.107 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -3.159 0.570 8.603 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.989 1.673 12.063 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.747 2.517 8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.710 3.414 13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.465 4.258 9.717 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.142 5.327 11.649 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.369 2.363 6.835 1.00 0.00 N ATOM 1586 CA LEU A 98 -4.146 3.444 5.837 1.00 0.00 C ATOM 1587 C LEU A 98 -5.500 4.013 5.427 1.00 0.00 C ATOM 1588 O LEU A 98 -5.630 5.183 5.123 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.433 2.885 4.603 1.00 0.00 C ATOM 1590 CG LEU A 98 -2.022 2.435 4.977 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.327 1.873 3.735 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.229 3.634 5.498 1.00 0.00 C ATOM 0 H LEU A 98 -4.145 1.421 6.515 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.525 4.224 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.996 2.045 4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.387 3.645 3.823 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.075 1.667 5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.319 1.550 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.893 1.023 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.273 2.645 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.222 3.315 5.766 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.174 4.398 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.725 4.044 6.377 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.511 3.191 5.419 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.861 3.675 5.030 1.00 0.00 C ATOM 1606 C LYS A 99 -8.234 4.872 5.907 1.00 0.00 C ATOM 1607 O LYS A 99 -8.740 5.869 5.433 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.880 2.554 5.249 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.246 2.992 4.731 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.299 1.951 5.119 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.677 2.417 4.647 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.298 3.275 5.693 1.00 0.00 N ATOM 0 H LYS A 99 -6.459 2.203 5.666 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.860 3.971 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.557 1.650 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.944 2.310 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.510 3.964 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.216 3.107 3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.056 0.988 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.303 1.807 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.584 2.973 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.313 1.556 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.235 3.591 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.400 2.731 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.694 4.103 5.866 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.978 4.783 7.183 1.00 0.00 N ATOM 1627 CA LYS A 100 -8.306 5.915 8.095 1.00 0.00 C ATOM 1628 C LYS A 100 -7.503 7.145 7.684 1.00 0.00 C ATOM 1629 O LYS A 100 -8.006 8.251 7.644 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.926 5.533 9.522 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.792 4.368 9.994 1.00 0.00 C ATOM 1632 CD LYS A 100 -8.430 4.035 11.439 1.00 0.00 C ATOM 1633 CE LYS A 100 -9.317 2.896 11.943 1.00 0.00 C ATOM 1634 NZ LYS A 100 -9.455 2.993 13.423 1.00 0.00 N ATOM 0 H LYS A 100 -7.554 3.973 7.635 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.372 6.133 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.873 5.256 9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.058 6.388 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.848 4.629 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.634 3.498 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.381 3.748 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.559 4.915 12.069 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -10.298 2.949 11.471 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.883 1.934 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.058 2.219 13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.516 2.923 13.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.887 3.905 13.672 1.00 0.00 H new ATOM 1648 N ALA A 101 -6.252 6.953 7.384 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.389 8.100 6.979 1.00 0.00 C ATOM 1650 C ALA A 101 -5.954 8.757 5.718 1.00 0.00 C ATOM 1651 O ALA A 101 -5.721 9.920 5.458 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.972 7.593 6.697 1.00 0.00 C ATOM 0 H ALA A 101 -5.785 6.047 7.401 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.364 8.834 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.339 8.429 6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.565 7.131 7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.002 6.858 5.893 1.00 0.00 H new ATOM 1658 N THR A 102 -6.691 8.024 4.928 1.00 0.00 N ATOM 1659 CA THR A 102 -7.260 8.616 3.685 1.00 0.00 C ATOM 1660 C THR A 102 -7.964 9.934 4.020 1.00 0.00 C ATOM 1661 O THR A 102 -7.878 10.898 3.284 1.00 0.00 O ATOM 1662 CB THR A 102 -8.258 7.634 3.055 1.00 0.00 C ATOM 1663 OG1 THR A 102 -8.319 7.860 1.654 1.00 0.00 O ATOM 1664 CG2 THR A 102 -9.649 7.833 3.665 1.00 0.00 C ATOM 0 H THR A 102 -6.923 7.044 5.089 1.00 0.00 H new ATOM 0 HA THR A 102 -6.456 8.811 2.975 1.00 0.00 H new ATOM 0 HB THR A 102 -7.927 6.614 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.954 7.233 1.249 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.349 7.132 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.604 7.656 4.740 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.985 8.853 3.479 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.658 9.986 5.123 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.365 11.242 5.501 1.00 0.00 C ATOM 1674 C GLU A 103 -8.339 12.354 5.734 1.00 0.00 C ATOM 1675 O GLU A 103 -7.301 12.138 6.328 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.166 11.010 6.783 1.00 0.00 C ATOM 1677 CG GLU A 103 -11.003 12.252 7.095 1.00 0.00 C ATOM 1678 CD GLU A 103 -11.725 12.060 8.429 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -11.531 11.024 9.042 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -12.461 12.953 8.816 1.00 0.00 O ATOM 0 H GLU A 103 -8.766 9.213 5.779 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.042 11.534 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.814 10.142 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.491 10.796 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.363 13.133 7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.727 12.424 6.299 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.570 1.153 -2.169 1.00 0.00 FE HETATM 1689 CHA HEC A 201 5.134 2.715 -5.140 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.236 0.640 -1.951 1.00 0.00 C HETATM 1691 CHC HEC A 201 6.008 -0.402 0.795 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.909 1.655 -2.405 1.00 0.00 C HETATM 1693 NA HEC A 201 4.026 1.586 -3.291 1.00 0.00 N HETATM 1694 C1A HEC A 201 4.012 2.234 -4.509 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.674 2.320 -5.049 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.856 1.813 -4.101 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.702 1.307 -3.053 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.377 1.965 -4.043 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.310 2.570 -6.475 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.483 4.040 -6.871 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.137 4.763 -6.771 1.00 0.00 C HETATM 1702 O1A HEC A 201 1.122 5.875 -6.269 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.147 4.194 -7.200 1.00 0.00 O HETATM 1704 NB HEC A 201 4.384 0.289 -0.870 1.00 0.00 N HETATM 1705 C1B HEC A 201 3.016 0.159 -0.927 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.494 -0.548 0.219 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.558 -0.746 1.058 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.722 -0.294 0.329 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.176 -1.248 0.259 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.529 -1.002 2.545 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.242 -1.640 3.080 1.00 0.00 C HETATM 1712 NC HEC A 201 7.117 0.719 -1.052 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.129 0.056 0.153 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.468 -0.118 0.654 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.282 0.547 -0.193 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.447 1.003 -1.287 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.901 -1.123 1.661 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.686 0.964 0.104 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.694 -0.175 -0.052 1.00 0.00 C HETATM 1720 ND HEC A 201 6.752 2.014 -3.468 1.00 0.00 N HETATM 1721 C1D HEC A 201 8.125 2.124 -3.427 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.642 2.763 -4.610 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.569 3.143 -5.333 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.412 2.618 -4.658 1.00 0.00 C HETATM 1725 CMD HEC A 201 10.040 2.686 -5.107 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.572 4.118 -6.458 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.616 3.429 -7.823 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.265 3.593 -8.522 1.00 0.00 C HETATM 1729 O1D HEC A 201 6.112 4.560 -9.249 1.00 0.00 O HETATM 1730 O2D HEC A 201 5.409 2.748 -8.321 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.717 3.085 -4.352 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.297 1.647 -5.312 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 10.133 3.270 -6.022 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.357 -0.963 2.592 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.694 -2.126 1.287 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 9.970 -1.018 1.844 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.377 -0.531 0.067 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.155 -2.028 -0.502 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.032 -1.697 1.242 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 0.122 3.023 -3.981 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.068 1.536 -4.941 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.008 1.447 -3.164 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.408 3.861 -8.435 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.848 2.371 -7.701 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.438 -0.984 0.632 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.669 -0.545 -1.077 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.695 0.191 0.177 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.396 -0.988 2.864 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.088 -2.606 2.599 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.326 -1.781 4.158 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.213 4.519 -6.219 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 2.870 4.110 -7.888 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.681 4.742 -6.397 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.432 4.780 -6.360 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.929 1.947 -7.120 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.275 2.271 -6.641 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.985 1.812 -2.486 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.150 -0.894 1.757 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.160 0.478 -1.881 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.996 3.213 -6.100 1.00 0.00 H new